5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole

C159H143N9 — CID 161357421

IUPAC5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc5c(cc4n(-c4nc(-c6ccccc6)c6ccccc6n4)c3cc2C(C)(C)C1(C)C)C(C)(C)C(C)(C)C5(C)C
InChIInChI=1S/C58H48N4.C57H46N2.C44H49N3/c1-56(2)47-35-46-45-34-38(29-31-52(45)60(40-19-9-7-10-20-40)54(46)36-48(47)57(3,4)58(56,5)6)37-28-30-51-44(33-37)43-24-13-15-26-50(43)61(51)42-23-17-18-39(32-42)55-59-49-25-14-16-27-53(49)62(55)41-21-11-8-12-22-41;1-55(2)49-33-48-47-31-36(25-29-53(47)58(37-16-8-7-9-17-37)54(48)34-50(49)56(3,4)57(55,5)6)35-24-28-52-46(30-35)44-22-14-15-23-51(44)59(52)38-26-27-43-41-20-11-10-18-39(41)40-19-12-13-21-42(40)45(43)32-38;1-39(2)30-22-28-29-23-31-33(42(7,8)44(11,12)40(31,3)4)25-36(29)47(35(28)24-32(30)41(5,6)43(39,9)10)38-45-34-21-17-16-20-27(34)37(46-38)26-18-14-13-15-19-26/h7-36H,1-6H3;7-34H,1-6H3;13-25H,1-12H3
InChIKeyVOSLPFJMIHEAMI-UHFFFAOYSA-N
MW2179.96 g/mol
LogP42.33
Rot. Bonds10

About 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole

5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole (PubChem CID 161357421) has the molecular formula C159H143N9 and a molecular weight of 2179.96 g/mol. Its IUPAC name is 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole.

Molecular Properties

Compound Name5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole
PubChem CID161357421
Molecular FormulaC159H143N9
Molecular Weight2179.96 g/mol
Exact Mass2178.15
IUPAC Name5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole
SMILESCC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc5c(cc4n(-c4nc(-c6ccccc6)c6ccccc6n4)c3cc2C(C)(C)C1(C)C)C(C)(C)C(C)(C)C5(C)C
InChIInChI=1S/C58H48N4.C57H46N2.C44H49N3/c1-56(2)47-35-46-45-34-38(29-31-52(45)60(40-19-9-7-10-20-40)54(46)36-48(47)57(3,4)58(56,5)6)37-28-30-51-44(33-37)43-24-13-15-26-50(43)61(51)42-23-17-18-39(32-42)55-59-49-25-14-16-27-53(49)62(55)41-21-11-8-12-22-41;1-55(2)49-33-48-47-31-36(25-29-53(47)58(37-16-8-7-9-17-37)54(48)34-50(49)56(3,4)57(55,5)6)35-24-28-52-46(30-35)44-22-14-15-23-51(44)59(52)38-26-27-43-41-20-11-10-18-39(41)40-19-12-13-21-42(40)45(43)32-38;1-39(2)30-22-28-29-23-31-33(42(7,8)44(11,12)40(31,3)4)25-36(29)47(35(28)24-32(30)41(5,6)43(39,9)10)38-45-34-21-17-16-20-27(34)37(46-38)26-18-14-13-15-19-26/h7-36H,1-6H3;7-34H,1-6H3;13-25H,1-12H3
InChIKeyVOSLPFJMIHEAMI-UHFFFAOYSA-N
XLogP42.33
TPSA68.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms168
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002179.96
LogP ≤ 542.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole with MolForge

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Related Compounds

1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]cyclopenta[b]carbazole
CID 145257445
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1,1,2,2,3,3-hexamethyl-9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]cyclopenta[b]carbazole
CID 126598422
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
2-carbazol-9-yl-9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 144777561
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole?
The IUPAC name of 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole (CID 161357421) is 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole.
What is the SMILES notation for 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole?
The canonical SMILES for 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole is CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6nc7ccccc7n6-c6ccccc6)c5)ccc4n(-c4ccccc4)c3cc2C(C)(C)C1(C)C.CC1(C)c2cc3c4cc5c(cc4n(-c4nc(-c6ccccc6)c6ccccc6n4)c3cc2C(C)(C)C1(C)C)C(C)(C)C(C)(C)C5(C)C.
What is the InChIKey of 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole?
The InChIKey is VOSLPFJMIHEAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H48N4.C57H46N2.C44H49N3/c1-56(2)47-35-46-45-34-38(29-31-52(45)60(40-19-9-7-10-20-40)54(46)36-48(47)57(3,4)58(56,5)6)37-28-30-51-44(33-37)43-24-13-15-26-50(43)61(51)42-23-17-18-39(32-42)55-59-49-25-14-16-27-53(49)62(55)41-21-11-8-12-22-41;1-55(2)49-33-48-47-31-36(25-29-53(47)58(37-16-8-7-9-17-37)54(48)34-50(49)56(3,4)57(55,5)6)35-24-28-52-46(30-35)44-22-14-15-23-51(44)59(52)38-26-27-43-41-20-11-10-18-39(41)40-19-12-13-21-42(40)45(43)32-38;1-39(2)30-22-28-29-23-31-33(42(7,8)44(11,12)40(31,3)4)25-36(29)47(35(28)24-32(30)41(5,6)43(39,9)10)38-45-34-21-17-16-20-27(34)37(46-38)26-18-14-13-15-19-26/h7-36H,1-6H3;7-34H,1-6H3;13-25H,1-12H3.
What are the key properties of 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole?
5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole has a molecular weight of 2179.96 g/mol, XLogP of 42.33, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,15,15,16,16,17,17-dodecamethyl-11-(4-phenylquinazolin-2-yl)-11-azapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene;1,1,2,2,3,3-hexamethyl-9-phenyl-6-[9-[3-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-3-yl]cyclopenta[b]carbazole;1,1,2,2,3,3-hexamethyl-9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)cyclopenta[b]carbazole is sourced from PubChem (CID 161357421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).