11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole

C165H104N12OS — CID 158443759

About 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole

11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole (PubChem CID 158443759) has the molecular formula C165H104N12OS and a molecular weight of 2302.80 g/mol. Its IUPAC name is 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole.

Molecular Properties

• Compound Name: 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole
• PubChem CID: 158443759
• Molecular Formula: C165H104N12OS
• Molecular Weight: 2302.80 g/mol
• Exact Mass: 2300.82
• IUPAC Name: 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole
• SMILES: C=C/C(=C\c1cc2ccccc2n1-c1ccccc1)c1cc2c3ccccc3n(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4n3)c2c2ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n(-c6nc(-c7cccc8c7oc7ccccc78)c7ccccc7n6)c5c5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n(-c6nc(-c7cccc8c7sc7ccccc78)c7ccccc7n6)c5c5ccccc45)cc32)cc1
• InChI: InChI=1S/C57H40N4.C54H32N4O.C54H32N4S/c1-4-36(32-40-33-37-18-8-16-28-52(37)60(40)39-19-6-5-7-20-39)47-35-48-44-23-13-17-29-53(44)61(55(48)45-24-10-9-21-41(45)47)56-58-51-27-15-12-25-46(51)54(59-56)38-30-31-43-42-22-11-14-26-49(42)57(2,3)50(43)34-38;2*1-2-15-34(16-3-1)57-47-26-11-7-18-36(47)38-30-29-33(31-49(38)57)44-32-45-37-19-8-12-27-48(37)58(52(45)40-21-5-4-17-35(40)44)54-55-46-25-10-6-22-42(46)51(56-54)43-24-14-23-41-39-20-9-13-28-50(39)59-53(41)43/h4-35H,1H2,2-3H3;2*1-32H/b36-32+
• InChIKey: HDDDEPYUUBUOSX-IVYNWZHGSA-N
• XLogP: 43.41
• TPSA: 120.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.80
LogP ≤ 5	43.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole?

The IUPAC name of 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole (CID 158443759) is 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole.

What is the SMILES notation for 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole?

The canonical SMILES for 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole is C=C/C(=C\c1cc2ccccc2n1-c1ccccc1)c1cc2c3ccccc3n(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4n3)c2c2ccccc12.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n(-c6nc(-c7cccc8c7oc7ccccc78)c7ccccc7n6)c5c5ccccc45)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cc5c6ccccc6n(-c6nc(-c7cccc8c7sc7ccccc78)c7ccccc7n6)c5c5ccccc45)cc32)cc1.

What is the InChIKey of 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole?

The InChIKey is HDDDEPYUUBUOSX-IVYNWZHGSA-N. The full InChI is InChI=1S/C57H40N4.C54H32N4O.C54H32N4S/c1-4-36(32-40-33-37-18-8-16-28-52(37)60(40)39-19-6-5-7-20-39)47-35-48-44-23-13-17-29-53(44)61(55(48)45-24-10-9-21-41(45)47)56-58-51-27-15-12-25-46(51)54(59-56)38-30-31-43-42-22-11-14-26-49(42)57(2,3)50(43)34-38;2*1-2-15-34(16-3-1)57-47-26-11-7-18-36(47)38-30-29-33(31-49(38)57)44-32-45-37-19-8-12-27-48(37)58(52(45)40-21-5-4-17-35(40)44)54-55-46-25-10-6-22-42(46)51(56-54)43-24-14-23-41-39-20-9-13-28-50(39)59-53(41)43/h4-35H,1H2,2-3H3;2*1-32H/b36-32+;;.

What are the key properties of 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole?

11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole has a molecular weight of 2302.80 g/mol, XLogP of 43.41, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(4-dibenzofuran-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-(4-dibenzothiophen-4-ylquinazolin-2-yl)-5-(9-phenylcarbazol-2-yl)benzo[a]carbazole;11-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-5-[(1E)-1-(1-phenylindol-2-yl)buta-1,3-dien-2-yl]benzo[a]carbazole is sourced from PubChem (CID 158443759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).