6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine

C242H197N5O5 — CID 162187961

IUPAC6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1ccc2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2c(C5CCCCC5)cccc24)c2ccccc2c1-3.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccc4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12
InChIInChI=1S/C52H45NO.C50H43NO.2C47H37NO.C46H35NO/c1-51(2)42-27-14-13-21-35(42)38-29-30-41-46-37-23-12-11-22-36(37)45(31-43(46)52(3,4)48(41)47(38)51)53(33-19-9-6-10-20-33)44-28-16-26-40-39-25-15-24-34(49(39)54-50(40)44)32-17-7-5-8-18-32;1-48(2,3)39-25-15-22-35-36-23-16-26-41(47(36)52-46(35)39)51(30-17-9-8-10-18-30)42-29-40-43(33-21-12-11-20-32(33)42)37-28-27-34-31-19-13-14-24-38(31)49(4,5)44(34)45(37)50(40,6)7;1-28-17-20-30(21-18-28)48(40-15-10-14-36-34-13-8-9-16-41(34)49-45(36)40)31-22-23-33-35-24-25-37-42-32-12-7-6-11-29(32)19-26-38(42)46(2,3)44(37)43(35)47(4,5)39(33)27-31;1-28-15-13-21-34-35-22-14-24-39(45(35)49-44(28)34)48(29-16-7-6-8-17-29)40-27-38-41(32-20-10-9-19-31(32)40)36-26-25-33-30-18-11-12-23-37(30)46(2,3)42(33)43(36)47(38,4)5;1-45(2)37-26-21-28-13-8-9-16-31(28)41(37)36-25-24-34-32-23-22-30(27-38(32)46(3,4)42(34)43(36)45)47(29-14-6-5-7-15-29)39-19-12-18-35-33-17-10-11-20-40(33)48-44(35)39/h6,9-16,19-32H,5,7-8,17-18H2,1-4H3;8-29H,1-7H3;2*6-27H,1-5H3;5-27H,1-4H3
InChIKeyZPXHRCHMOGQKOR-UHFFFAOYSA-N
MW3255.27 g/mol
LogP68.07
Rot. Bonds16

About 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine

6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine (PubChem CID 162187961) has the molecular formula C242H197N5O5 and a molecular weight of 3255.27 g/mol. Its IUPAC name is 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine.

Molecular Properties

Compound Name6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine
PubChem CID162187961
Molecular FormulaC242H197N5O5
Molecular Weight3255.27 g/mol
Exact Mass3252.53
IUPAC Name6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine
SMILESCC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1ccc2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2c(C5CCCCC5)cccc24)c2ccccc2c1-3.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccc4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12
InChIInChI=1S/C52H45NO.C50H43NO.2C47H37NO.C46H35NO/c1-51(2)42-27-14-13-21-35(42)38-29-30-41-46-37-23-12-11-22-36(37)45(31-43(46)52(3,4)48(41)47(38)51)53(33-19-9-6-10-20-33)44-28-16-26-40-39-25-15-24-34(49(39)54-50(40)44)32-17-7-5-8-18-32;1-48(2,3)39-25-15-22-35-36-23-16-26-41(47(36)52-46(35)39)51(30-17-9-8-10-18-30)42-29-40-43(33-21-12-11-20-32(33)42)37-28-27-34-31-19-13-14-24-38(31)49(4,5)44(34)45(37)50(40,6)7;1-28-17-20-30(21-18-28)48(40-15-10-14-36-34-13-8-9-16-41(34)49-45(36)40)31-22-23-33-35-24-25-37-42-32-12-7-6-11-29(32)19-26-38(42)46(2,3)44(37)43(35)47(4,5)39(33)27-31;1-28-15-13-21-34-35-22-14-24-39(45(35)49-44(28)34)48(29-16-7-6-8-17-29)40-27-38-41(32-20-10-9-19-31(32)40)36-26-25-33-30-18-11-12-23-37(30)46(2,3)42(33)43(36)47(38,4)5;1-45(2)37-26-21-28-13-8-9-16-31(28)41(37)36-25-24-34-32-23-22-30(27-38(32)46(3,4)42(34)43(36)45)47(29-14-6-5-7-15-29)39-19-12-18-35-33-17-10-11-20-40(33)48-44(35)39/h6,9-16,19-32H,5,7-8,17-18H2,1-4H3;8-29H,1-7H3;2*6-27H,1-5H3;5-27H,1-4H3
InChIKeyZPXHRCHMOGQKOR-UHFFFAOYSA-N
XLogP68.07
TPSA81.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms252
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003255.27
LogP ≤ 568.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine with MolForge

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Related Compounds

6-cyclohexyl-N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaenyl)-N-phenyldibenzofuran-4-amine
CID 90140395
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354
9-N',17-N'-bis(6-cyclohexyldibenzofuran-4-yl)-9-N',17-N'-diphenylspiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]-9',17'-diamine
CID 145353152
1-N,6-N-bis(6-tert-butyldibenzofuran-4-yl)-3,8-dicyclohexyl-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-cyclopentyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 158281555
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
5-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430685
9-N,18-N-di(dibenzofuran-4-yl)-12,12,15,15-tetramethyl-9-N,18-N-bis(4-trimethylsilylphenyl)hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaene-9,18-diamine
CID 140758762
N-(12,12-dimethyl-9-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-N-(3-methylphenyl)dibenzofuran-4-amine
CID 90140402
6-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-8-(2,4,6-trimethylphenyl)dibenzofuran-4-amine
CID 174314025
6-cyclopentyl-N-(7,7-diphenylbenzo[g]fluoren-9-yl)-N-phenyldibenzofuran-4-amine
CID 90140016
N-[4-(6-cyclohexyldibenzofuran-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine;N-[4-(6-cyclohexyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 165030567

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine?
The IUPAC name of 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine (CID 162187961) is 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine.
What is the SMILES notation for 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine?
The canonical SMILES for 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine is CC(C)(C)c1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12.CC1(C)c2cc(N(c3ccccc3)c3cccc4c3oc3ccccc34)ccc2-c2ccc3c(c21)C(C)(C)c1ccc2ccccc2c1-3.CC1(C)c2ccccc2-c2ccc3c(c21)C(C)(C)c1cc(N(c2ccccc2)c2cccc4c2oc2c(C5CCCCC5)cccc24)c2ccccc2c1-3.Cc1ccc(N(c2ccc3c(c2)C(C)(C)c2c-3ccc3c2C(C)(C)c2ccc4ccccc4c2-3)c2cccc3c2oc2ccccc23)cc1.Cc1cccc2c1oc1c(N(c3ccccc3)c3cc4c(c5ccccc35)-c3ccc5c(c3C4(C)C)C(C)(C)c3ccccc3-5)cccc12.
What is the InChIKey of 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine?
The InChIKey is ZPXHRCHMOGQKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H45NO.C50H43NO.2C47H37NO.C46H35NO/c1-51(2)42-27-14-13-21-35(42)38-29-30-41-46-37-23-12-11-22-36(37)45(31-43(46)52(3,4)48(41)47(38)51)53(33-19-9-6-10-20-33)44-28-16-26-40-39-25-15-24-34(49(39)54-50(40)44)32-17-7-5-8-18-32;1-48(2,3)39-25-15-22-35-36-23-16-26-41(47(36)52-46(35)39)51(30-17-9-8-10-18-30)42-29-40-43(33-21-12-11-20-32(33)42)37-28-27-34-31-19-13-14-24-38(31)49(4,5)44(34)45(37)50(40,6)7;1-28-17-20-30(21-18-28)48(40-15-10-14-36-34-13-8-9-16-41(34)49-45(36)40)31-22-23-33-35-24-25-37-42-32-12-7-6-11-29(32)19-26-38(42)46(2,3)44(37)43(35)47(4,5)39(33)27-31;1-28-15-13-21-34-35-22-14-24-39(45(35)49-44(28)34)48(29-16-7-6-8-17-29)40-27-38-41(32-20-10-9-19-31(32)40)36-26-25-33-30-18-11-12-23-37(30)46(2,3)42(33)43(36)47(38,4)5;1-45(2)37-26-21-28-13-8-9-16-31(28)41(37)36-25-24-34-32-23-22-30(27-38(32)46(3,4)42(34)43(36)45)47(29-14-6-5-7-15-29)39-19-12-18-35-33-17-10-11-20-40(33)48-44(35)39/h6,9-16,19-32H,5,7-8,17-18H2,1-4H3;8-29H,1-7H3;2*6-27H,1-5H3;5-27H,1-4H3.
What are the key properties of 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine?
6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine has a molecular weight of 3255.27 g/mol, XLogP of 68.07, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;6-cyclohexyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-(4-methylphenyl)-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine;6-methyl-N-phenyl-N-(12,12,15,15-tetramethyl-9-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaenyl)dibenzofuran-4-amine;N-phenyl-N-(12,12,15,15-tetramethyl-18-hexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16(21),17,19,23-undecaenyl)dibenzofuran-4-amine is sourced from PubChem (CID 162187961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).