1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane

C336H208N16O16 — CID 158479689

IUPAC1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane
SMILESC.Cc1nc2ccccc2n1-c1ccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)cc1.Cc1nc2ccccc2n1-c1ccc2cc(-c3c4oc5ccccc5c4cc4c3oc3ccccc34)ccc2c1.Cc1nc2ccccc2n1-c1cccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc4cc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)ccc4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4ccc5cc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)ccc5c4)c3)cc2)cc1
InChIInChI=1S/C53H32N2O2.C49H30N2O2.C47H28N2O2.2C43H26N2O2.C36H22N2O2.2C32H20N2O2.CH4/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)53-54-46-17-6-7-18-47(46)55(53)41-14-10-13-36(31-41)37-25-26-39-30-40(28-27-38(39)29-37)50-51-44(42-15-4-8-19-48(42)56-51)32-45-43-16-5-9-20-49(43)57-52(45)50;1-2-10-31(11-3-1)32-20-24-36(25-21-32)49-50-42-14-6-7-15-43(42)51(49)37-28-26-34(27-29-37)33-18-22-35(23-19-33)46-47-40(38-12-4-8-16-44(38)52-47)30-41-39-13-5-9-17-45(39)53-48(41)46;1-2-10-29(11-3-1)30-18-20-31(21-19-30)47-48-40-14-6-7-15-41(40)49(47)35-25-24-32-26-34(23-22-33(32)27-35)44-45-38(36-12-4-8-16-42(36)50-45)28-39-37-13-5-9-17-43(37)51-46(39)44;1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-44-36-17-6-7-18-37(36)45(43)31-14-10-13-30(25-31)40-41-34(32-15-4-8-19-38(32)46-41)26-35-33-16-5-9-20-39(33)47-42(35)40;1-2-10-27(11-3-1)28-18-20-30(21-19-28)43-44-36-14-6-7-15-37(36)45(43)31-24-22-29(23-25-31)40-41-34(32-12-4-8-16-38(32)46-41)26-35-33-13-5-9-17-39(33)47-42(35)40;1-21-37-30-10-4-5-11-31(30)38(21)25-17-16-22-18-24(15-14-23(22)19-25)34-35-28(26-8-2-6-12-32(26)39-35)20-29-27-9-3-7-13-33(27)40-36(29)34;1-19-33-26-13-4-5-14-27(26)34(19)21-10-8-9-20(17-21)30-31-24(22-11-2-6-15-28(22)35-31)18-25-23-12-3-7-16-29(23)36-32(25)30;1-19-33-26-10-4-5-11-27(26)34(19)21-16-14-20(15-17-21)30-31-24(22-8-2-6-12-28(22)35-31)18-25-23-9-3-7-13-29(23)36-32(25)30;/h1-32H;1-30H;1-28H;2*1-26H;2-20H,1H3;2*2-18H,1H3;1H4
InChIKeyHHJHGHNTMQHENJ-UHFFFAOYSA-N
MW4725.46 g/mol
LogP92.96
Rot. Bonds28

About 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane

1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane (PubChem CID 158479689) has the molecular formula C336H208N16O16 and a molecular weight of 4725.46 g/mol. Its IUPAC name is 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane.

Molecular Properties

Compound Name1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane
PubChem CID158479689
Molecular FormulaC336H208N16O16
Molecular Weight4725.46 g/mol
Exact Mass4721.60
IUPAC Name1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane
SMILESC.Cc1nc2ccccc2n1-c1ccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)cc1.Cc1nc2ccccc2n1-c1ccc2cc(-c3c4oc5ccccc5c4cc4c3oc3ccccc34)ccc2c1.Cc1nc2ccccc2n1-c1cccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc4cc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)ccc4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4ccc5cc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)ccc5c4)c3)cc2)cc1
InChIInChI=1S/C53H32N2O2.C49H30N2O2.C47H28N2O2.2C43H26N2O2.C36H22N2O2.2C32H20N2O2.CH4/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)53-54-46-17-6-7-18-47(46)55(53)41-14-10-13-36(31-41)37-25-26-39-30-40(28-27-38(39)29-37)50-51-44(42-15-4-8-19-48(42)56-51)32-45-43-16-5-9-20-49(43)57-52(45)50;1-2-10-31(11-3-1)32-20-24-36(25-21-32)49-50-42-14-6-7-15-43(42)51(49)37-28-26-34(27-29-37)33-18-22-35(23-19-33)46-47-40(38-12-4-8-16-44(38)52-47)30-41-39-13-5-9-17-45(39)53-48(41)46;1-2-10-29(11-3-1)30-18-20-31(21-19-30)47-48-40-14-6-7-15-41(40)49(47)35-25-24-32-26-34(23-22-33(32)27-35)44-45-38(36-12-4-8-16-42(36)50-45)28-39-37-13-5-9-17-43(37)51-46(39)44;1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-44-36-17-6-7-18-37(36)45(43)31-14-10-13-30(25-31)40-41-34(32-15-4-8-19-38(32)46-41)26-35-33-16-5-9-20-39(33)47-42(35)40;1-2-10-27(11-3-1)28-18-20-30(21-19-28)43-44-36-14-6-7-15-37(36)45(43)31-24-22-29(23-25-31)40-41-34(32-12-4-8-16-38(32)46-41)26-35-33-13-5-9-17-39(33)47-42(35)40;1-21-37-30-10-4-5-11-31(30)38(21)25-17-16-22-18-24(15-14-23(22)19-25)34-35-28(26-8-2-6-12-32(26)39-35)20-29-27-9-3-7-13-33(27)40-36(29)34;1-19-33-26-13-4-5-14-27(26)34(19)21-10-8-9-20(17-21)30-31-24(22-11-2-6-15-28(22)35-31)18-25-23-12-3-7-16-29(23)36-32(25)30;1-19-33-26-10-4-5-11-27(26)34(19)21-16-14-20(15-17-21)30-31-24(22-8-2-6-12-28(22)35-31)18-25-23-9-3-7-13-29(23)36-32(25)30;/h1-32H;1-30H;1-28H;2*1-26H;2-20H,1H3;2*2-18H,1H3;1H4
InChIKeyHHJHGHNTMQHENJ-UHFFFAOYSA-N
XLogP92.96
TPSA352.80 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms368
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004725.46
LogP ≤ 592.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane with MolForge

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What is the IUPAC name of 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane?
The IUPAC name of 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane (CID 158479689) is 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane.
What is the SMILES notation for 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane?
The canonical SMILES for 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane is C.Cc1nc2ccccc2n1-c1ccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)cc1.Cc1nc2ccccc2n1-c1ccc2cc(-c3c4oc5ccccc5c4cc4c3oc3ccccc34)ccc2c1.Cc1nc2ccccc2n1-c1cccc(-c2c3oc4ccccc4c3cc3c2oc2ccccc23)c1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc(-c4ccc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3ccc4cc(-c5c6oc7ccccc7c6cc6c5oc5ccccc56)ccc4c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4c5oc6ccccc6c5cc5c4oc4ccccc45)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc4ccccc4n3-c3cccc(-c4ccc5cc(-c6c7oc8ccccc8c7cc7c6oc6ccccc67)ccc5c4)c3)cc2)cc1.
What is the InChIKey of 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane?
The InChIKey is HHJHGHNTMQHENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2.C49H30N2O2.C47H28N2O2.2C43H26N2O2.C36H22N2O2.2C32H20N2O2.CH4/c1-2-11-33(12-3-1)34-21-23-35(24-22-34)53-54-46-17-6-7-18-47(46)55(53)41-14-10-13-36(31-41)37-25-26-39-30-40(28-27-38(39)29-37)50-51-44(42-15-4-8-19-48(42)56-51)32-45-43-16-5-9-20-49(43)57-52(45)50;1-2-10-31(11-3-1)32-20-24-36(25-21-32)49-50-42-14-6-7-15-43(42)51(49)37-28-26-34(27-29-37)33-18-22-35(23-19-33)46-47-40(38-12-4-8-16-44(38)52-47)30-41-39-13-5-9-17-45(39)53-48(41)46;1-2-10-29(11-3-1)30-18-20-31(21-19-30)47-48-40-14-6-7-15-41(40)49(47)35-25-24-32-26-34(23-22-33(32)27-35)44-45-38(36-12-4-8-16-42(36)50-45)28-39-37-13-5-9-17-43(37)51-46(39)44;1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-44-36-17-6-7-18-37(36)45(43)31-14-10-13-30(25-31)40-41-34(32-15-4-8-19-38(32)46-41)26-35-33-16-5-9-20-39(33)47-42(35)40;1-2-10-27(11-3-1)28-18-20-30(21-19-28)43-44-36-14-6-7-15-37(36)45(43)31-24-22-29(23-25-31)40-41-34(32-12-4-8-16-38(32)46-41)26-35-33-13-5-9-17-39(33)47-42(35)40;1-21-37-30-10-4-5-11-31(30)38(21)25-17-16-22-18-24(15-14-23(22)19-25)34-35-28(26-8-2-6-12-32(26)39-35)20-29-27-9-3-7-13-33(27)40-36(29)34;1-19-33-26-13-4-5-14-27(26)34(19)21-10-8-9-20(17-21)30-31-24(22-11-2-6-15-28(22)35-31)18-25-23-12-3-7-16-29(23)36-32(25)30;1-19-33-26-10-4-5-11-27(26)34(19)21-16-14-20(15-17-21)30-31-24(22-8-2-6-12-28(22)35-31)18-25-23-9-3-7-13-29(23)36-32(25)30;/h1-32H;1-30H;1-28H;2*1-26H;2-20H,1H3;2*2-18H,1H3;1H4.
What are the key properties of 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane?
1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane has a molecular weight of 4725.46 g/mol, XLogP of 92.96, 28 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-methylbenzimidazole;1-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]-2-(4-phenylphenyl)benzimidazole;1-[3-[6-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)naphthalen-2-yl]phenyl]-2-(4-phenylphenyl)benzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-methylbenzimidazole;1-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]-2-(4-phenylphenyl)benzimidazole;1-[4-[4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)phenyl]phenyl]-2-(4-phenylphenyl)benzimidazole;methane is sourced from PubChem (CID 158479689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).