3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole

C138H88N12 — CID 160822067

About 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole (PubChem CID 160822067) has the molecular formula C138H88N12 and a molecular weight of 1914.31 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
• PubChem CID: 160822067
• Molecular Formula: C138H88N12
• Molecular Weight: 1914.31 g/mol
• Exact Mass: 1912.73
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C50H32N4.2C44H28N4/c1-3-14-33(15-4-1)50-51-44-23-10-7-22-41(44)49(52-50)36-16-13-19-38(30-36)54-46-25-12-9-21-40(46)43-32-35(27-29-48(43)54)34-26-28-47-42(31-34)39-20-8-11-24-45(39)53(47)37-17-5-2-6-18-37;1-3-13-29(14-4-1)43-45-38-20-10-7-19-35(38)44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-32H;2*1-28H
• InChIKey: SFRGDHGTPLATDK-UHFFFAOYSA-N
• XLogP: 35.14
• TPSA: 106.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1914.31
LogP ≤ 5	35.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole (CID 160822067) is 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole.

What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.

What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The InChIKey is SFRGDHGTPLATDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.2C44H28N4/c1-3-14-33(15-4-1)50-51-44-23-10-7-22-41(44)49(52-50)36-16-13-19-38(30-36)54-46-25-12-9-21-40(46)43-32-35(27-29-48(43)54)34-26-28-47-42(31-34)39-20-8-11-24-45(39)53(47)37-17-5-2-6-18-37;1-3-13-29(14-4-1)43-45-38-20-10-7-19-35(38)44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32;1-3-13-29(14-4-1)43-35-19-7-10-20-38(35)45-44(46-43)48-40-22-12-9-18-34(40)37-28-31(24-26-42(37)48)30-23-25-41-36(27-30)33-17-8-11-21-39(33)47(41)32-15-5-2-6-16-32/h1-32H;2*1-28H.

What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole?

3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole has a molecular weight of 1914.31 g/mol, XLogP of 35.14, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-(2-phenylquinazolin-4-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylquinazolin-2-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(2-phenylquinazolin-4-yl)phenyl]carbazole is sourced from PubChem (CID 160822067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).