N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole

C139H92N12 — CID 161499770

About N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole

N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole (PubChem CID 161499770) has the molecular formula C139H92N12 and a molecular weight of 1930.35 g/mol. Its IUPAC name is N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
• PubChem CID: 161499770
• Molecular Formula: C139H92N12
• Molecular Weight: 1930.35 g/mol
• Exact Mass: 1928.76
• IUPAC Name: N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole
• SMILES: Cc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)nc3ccccc23)cc1
• InChI: InChI=1S/C50H32N4.C45H30N4.C44H30N4/c1-3-13-34(14-4-1)50-51-44-20-10-7-19-41(44)49(52-50)33-23-27-38(28-24-33)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-29-19-21-30(22-20-29)44-36-15-5-8-16-39(36)46-45(47-44)49-41-18-10-7-14-35(41)38-28-32(24-26-43(38)49)31-23-25-42-37(27-31)34-13-6-9-17-40(34)48(42)33-11-3-2-4-12-33;1-4-14-32(15-5-1)43-38-21-10-12-22-40(38)45-44(46-43)48-41-23-13-11-20-37(41)39-30-33(26-29-42(39)48)31-24-27-36(28-25-31)47(34-16-6-2-7-17-34)35-18-8-3-9-19-35/h1-32H;2-28H,1H3;1-30H
• InChIKey: WGRLPFIJBYKHLQ-UHFFFAOYSA-N
• XLogP: 35.82
• TPSA: 105.23 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.35
LogP ≤ 5	35.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The IUPAC name of N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole (CID 161499770) is N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole.

What is the SMILES notation for N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The canonical SMILES for N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole is Cc1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)cc3)c3ccccc3n2)cc1.c1ccc(-c2nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)nc3ccccc23)cc1.

What is the InChIKey of N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?

The InChIKey is WGRLPFIJBYKHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4.C45H30N4.C44H30N4/c1-3-13-34(14-4-1)50-51-44-20-10-7-19-41(44)49(52-50)33-23-27-38(28-24-33)54-46-22-12-9-18-40(46)43-32-36(26-30-48(43)54)35-25-29-47-42(31-35)39-17-8-11-21-45(39)53(47)37-15-5-2-6-16-37;1-29-19-21-30(22-20-29)44-36-15-5-8-16-39(36)46-45(47-44)49-41-18-10-7-14-35(41)38-28-32(24-26-43(38)49)31-23-25-42-37(27-31)34-13-6-9-17-40(34)48(42)33-11-3-2-4-12-33;1-4-14-32(15-5-1)43-38-21-10-12-22-40(38)45-44(46-43)48-41-23-13-11-20-37(41)39-30-33(26-29-42(39)48)31-24-27-36(28-25-31)47(34-16-6-2-7-17-34)35-18-8-3-9-19-35/h1-32H;2-28H,1H3;1-30H.

What are the key properties of N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole?

N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole has a molecular weight of 1930.35 g/mol, XLogP of 35.82, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]aniline;3-[9-[4-(4-methylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole is sourced from PubChem (CID 161499770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).