1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole

C220H132N12O4 — CID 159937208

IUPAC1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2cc(-c3cnc(-c4ccccc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5c4ccc4oc6ccccc6c54)ccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)nc3ccccc32)cc1
InChIInChI=1S/2C57H34N4O.C56H34N2O.C50H30N2O/c1-3-15-35(16-4-1)49-32-50(38-33-58-55(59-34-38)36-17-5-2-6-18-36)61-56(60-49)37-27-28-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)57(48(42)31-37)46-25-13-10-22-43(46)53-47(57)29-30-52-54(53)44-23-11-14-26-51(44)62-52;1-2-13-35(14-3-1)50-32-51(38-25-28-49(59-34-38)37-15-12-30-58-33-37)61-56(60-50)36-24-26-42-40-17-5-4-16-39(40)41-18-6-9-21-45(41)57(48(42)31-36)46-22-10-7-19-43(46)54-47(57)27-29-53-55(54)44-20-8-11-23-52(44)62-53;1-3-15-35(16-4-1)55-57-49-34-37(28-31-50(49)58(55)38-17-5-2-6-18-38)36-27-29-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)56(48(42)33-36)46-25-13-10-22-43(46)53-47(56)30-32-52-54(53)44-23-11-14-26-51(44)59-52;1-2-14-32(15-3-1)52-44-24-12-11-23-43(44)51-49(52)31-26-27-36-34-17-5-4-16-33(34)35-18-6-9-21-39(35)50(42(36)30-31)40-22-10-7-19-37(40)47-41(50)28-29-46-48(47)38-20-8-13-25-45(38)53-46/h2*1-34H;1-34H;1-30H
InChIKeyOAKFIBYEDRTCII-UHFFFAOYSA-N
MW3007.56 g/mol
LogP54.56
Rot. Bonds13

About 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole

1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole (PubChem CID 159937208) has the molecular formula C220H132N12O4 and a molecular weight of 3007.56 g/mol. Its IUPAC name is 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole.

Molecular Properties

Compound Name1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
PubChem CID159937208
Molecular FormulaC220H132N12O4
Molecular Weight3007.56 g/mol
Exact Mass3005.05
IUPAC Name1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccnc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2cc(-c3cnc(-c4ccccc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5c4ccc4oc6ccccc6c54)ccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)nc3ccccc32)cc1
InChIInChI=1S/2C57H34N4O.C56H34N2O.C50H30N2O/c1-3-15-35(16-4-1)49-32-50(38-33-58-55(59-34-38)36-17-5-2-6-18-36)61-56(60-49)37-27-28-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)57(48(42)31-37)46-25-13-10-22-43(46)53-47(57)29-30-52-54(53)44-23-11-14-26-51(44)62-52;1-2-13-35(14-3-1)50-32-51(38-25-28-49(59-34-38)37-15-12-30-58-33-37)61-56(60-50)36-24-26-42-40-17-5-4-16-39(40)41-18-6-9-21-45(41)57(48(42)31-36)46-22-10-7-19-43(46)54-47(57)27-29-53-55(54)44-20-8-11-23-52(44)62-53;1-3-15-35(16-4-1)55-57-49-34-37(28-31-50(49)58(55)38-17-5-2-6-18-38)36-27-29-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)56(48(42)33-36)46-25-13-10-22-43(46)53-47(56)30-32-52-54(53)44-23-11-14-26-51(44)59-52;1-2-14-32(15-3-1)52-44-24-12-11-23-43(44)51-49(52)31-26-27-36-34-17-5-4-16-33(34)35-18-6-9-21-39(35)50(42(36)30-31)40-22-10-7-19-37(40)47-41(50)28-29-46-48(47)38-20-8-13-25-45(38)53-46/h2*1-34H;1-34H;1-30H
InChIKeyOAKFIBYEDRTCII-UHFFFAOYSA-N
XLogP54.56
TPSA191.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003007.56
LogP ≤ 554.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573670
1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole
CID 134573613
3'-[5-(6-dibenzofuran-2-yl-2,10-diphenylanthracen-9-yl)-2-pyridinyl]-10-phenylspiro[acridine-9,9'-fluorene];1-phenyl-2-[4-[9-phenyl-10-[6-(9,9'-spirobi[fluorene]-2-yl)-3-pyridinyl]anthracen-2-yl]phenyl]benzimidazole
CID 158963773
1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium
CID 159944220
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573663
2'-diphenylphosphorylspiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran];2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-2-yl-1,3,5-triazine;1-phenyl-2-(4-spiro[fluorene-9,11'-fluoreno[3,2-b][1]benzofuran]-4-ylphenyl)benzimidazole
CID 158795608
2'-(4,6-diphenyl-1,3,5-triazin-2-yl)-15-phenylspiro[6-oxa-15-azaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene-24,9'-fluorene]
CID 155348505
4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]fluorene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134574240
1-[3-[4-(2',7'-diphenyl-9,9'-spirobi[fluorene]-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzimidazole
CID 118688264
2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1-phenylbenzimidazole
CID 148942600
methane;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-1-ylphenyl)benzimidazole;1-phenyl-2-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-2-ylphenyl)benzimidazole;2-phenyl-1-(4-spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-3'-ylphenyl)benzimidazole
CID 159315421
2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[4,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573512

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole?
The IUPAC name of 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole (CID 159937208) is 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole.
What is the SMILES notation for 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole?
The canonical SMILES for 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole is c1ccc(-c2cc(-c3ccc(-c4cccnc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2cc(-c3cnc(-c4ccccc4)nc3)nc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)n2)cc1.c1ccc(-c2nc3cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc6-5)c5ccccc5-c5c4ccc4oc6ccccc6c54)ccc3n2-c2ccccc2)cc1.c1ccc(-n2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc5-4)c4ccccc4-c4c3ccc3oc5ccccc5c43)nc3ccccc32)cc1.
What is the InChIKey of 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole?
The InChIKey is OAKFIBYEDRTCII-UHFFFAOYSA-N. The full InChI is InChI=1S/2C57H34N4O.C56H34N2O.C50H30N2O/c1-3-15-35(16-4-1)49-32-50(38-33-58-55(59-34-38)36-17-5-2-6-18-36)61-56(60-49)37-27-28-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)57(48(42)31-37)46-25-13-10-22-43(46)53-47(57)29-30-52-54(53)44-23-11-14-26-51(44)62-52;1-2-13-35(14-3-1)50-32-51(38-25-28-49(59-34-38)37-15-12-30-58-33-37)61-56(60-50)36-24-26-42-40-17-5-4-16-39(40)41-18-6-9-21-45(41)57(48(42)31-36)46-22-10-7-19-43(46)54-47(57)27-29-53-55(54)44-20-8-11-23-52(44)62-53;1-3-15-35(16-4-1)55-57-49-34-37(28-31-50(49)58(55)38-17-5-2-6-18-38)36-27-29-42-40-20-8-7-19-39(40)41-21-9-12-24-45(41)56(48(42)33-36)46-25-13-10-22-43(46)53-47(56)30-32-52-54(53)44-23-11-14-26-51(44)59-52;1-2-14-32(15-3-1)52-44-24-12-11-23-43(44)51-49(52)31-26-27-36-34-17-5-4-16-33(34)35-18-6-9-21-39(35)50(42(36)30-31)40-22-10-7-19-37(40)47-41(50)28-29-46-48(47)38-20-8-13-25-45(38)53-46/h2*1-34H;1-34H;1-30H.
What are the key properties of 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole?
1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole has a molecular weight of 3007.56 g/mol, XLogP of 54.56, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-5-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole;4-phenyl-6-(2-phenylpyrimidin-5-yl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine;1-phenyl-2-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylbenzimidazole is sourced from PubChem (CID 159937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).