8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C120H74N12 — CID 159588974

About 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 159588974) has the molecular formula C120H74N12 and a molecular weight of 1684.00 g/mol. Its IUPAC name is 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 159588974
• Molecular Formula: C120H74N12
• Molecular Weight: 1684.00 g/mol
• Exact Mass: 1682.62
• IUPAC Name: 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4nc(N5c6ccccc6-c6cccc7cccc5c67)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(N5c6ccccc6-c6cccc7cccc5c67)nc5ccccc45)cc32)cc1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-n2c3ccccc3c3ccccc32)c2ccccc2n1
• InChI: InChI=1S/2C42H26N4.C36H22N4/c1-2-14-29(15-3-1)45-36-21-8-6-17-31(36)34-26-28(24-25-38(34)45)41-33-18-4-7-20-35(33)43-42(44-41)46-37-22-9-5-16-30(37)32-19-10-12-27-13-11-23-39(46)40(27)32;1-2-14-29(15-3-1)45-36-21-8-5-16-30(36)32-25-24-28(26-39(32)45)41-34-18-4-7-20-35(34)43-42(44-41)46-37-22-9-6-17-31(37)33-19-10-12-27-13-11-23-38(46)40(27)33;1-5-18-29-28(16-1)35(39-30-19-6-2-13-24(30)25-14-3-7-20-31(25)39)38-36(37-29)40-32-21-8-4-15-26(32)27-17-9-11-23-12-10-22-33(40)34(23)27/h2*1-26H;1-22H
• InChIKey: MJZKGRCOCLHTIX-UHFFFAOYSA-N
• XLogP: 31.32
• TPSA: 101.85 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.00
LogP ≤ 5	31.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 159588974) is 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is c1ccc(-n2c3ccccc3c3cc(-c4nc(N5c6ccccc6-c6cccc7cccc5c67)nc5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4nc(N5c6ccccc6-c6cccc7cccc5c67)nc5ccccc45)cc32)cc1.c1ccc2c(c1)-c1cccc3cccc(c13)N2c1nc(-n2c3ccccc3c3ccccc32)c2ccccc2n1.

What is the InChIKey of 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is MJZKGRCOCLHTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H26N4.C36H22N4/c1-2-14-29(15-3-1)45-36-21-8-6-17-31(36)34-26-28(24-25-38(34)45)41-33-18-4-7-20-35(33)43-42(44-41)46-37-22-9-5-16-30(37)32-19-10-12-27-13-11-23-39(46)40(27)32;1-2-14-29(15-3-1)45-36-21-8-5-16-30(36)32-25-24-28(26-39(32)45)41-34-18-4-7-20-35(34)43-42(44-41)46-37-22-9-6-17-31(37)33-19-10-12-27-13-11-23-38(46)40(27)33;1-5-18-29-28(16-1)35(39-30-19-6-2-13-24(30)25-14-3-7-20-31(25)39)38-36(37-29)40-32-21-8-4-15-26(32)27-17-9-11-23-12-10-22-33(40)34(23)27/h2*1-26H;1-22H.

What are the key properties of 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 1684.00 g/mol, XLogP of 31.32, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-carbazol-9-ylquinazolin-2-yl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene;8-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 159588974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).