N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine

C80H54N8 — CID 126631511

About N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine

N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine (PubChem CID 126631511) has the molecular formula C80H54N8 and a molecular weight of 1127.37 g/mol. Its IUPAC name is N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine
• PubChem CID: 126631511
• Molecular Formula: C80H54N8
• Molecular Weight: 1127.37 g/mol
• Exact Mass: 1126.45
• IUPAC Name: N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine
• SMILES: c1ccc(N(c2ccc3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
• InChI: InChI=1S/C80H54N8/c1-7-25-55(26-8-1)83(56-27-9-2-10-28-56)62-46-50-77-70(51-62)67-39-21-24-42-75(67)88(77)80-81-72-48-44-61(85(59-33-15-5-16-34-59)63-45-49-76-69(52-63)66-38-20-22-40-73(66)86(76)60-35-17-6-18-36-60)53-71(72)79(82-80)87-74-41-23-19-37-65(74)68-47-43-64(54-78(68)87)84(57-29-11-3-12-30-57)58-31-13-4-14-32-58/h1-54H
• InChIKey: CLMFEWYBIGBAMM-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 50.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.37
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine?

The IUPAC name of N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine (CID 126631511) is N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine.

What is the SMILES notation for N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine?

The canonical SMILES for N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine is c1ccc(N(c2ccc3nc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc(-n4c5ccccc5c5ccc(N(c6ccccc6)c6ccccc6)cc54)c3c2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.

What is the InChIKey of N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine?

The InChIKey is CLMFEWYBIGBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54N8/c1-7-25-55(26-8-1)83(56-27-9-2-10-28-56)62-46-50-77-70(51-62)67-39-21-24-42-75(67)88(77)80-81-72-48-44-61(85(59-33-15-5-16-34-59)63-45-49-76-69(52-63)66-38-20-22-40-73(66)86(76)60-35-17-6-18-36-60)53-71(72)79(82-80)87-74-41-23-19-37-65(74)68-47-43-64(54-78(68)87)84(57-29-11-3-12-30-57)58-31-13-4-14-32-58/h1-54H.

What are the key properties of N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine?

N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine has a molecular weight of 1127.37 g/mol, XLogP of 21.33, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-9-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(N-(9-phenylcarbazol-3-yl)anilino)quinazolin-4-yl]carbazol-2-amine is sourced from PubChem (CID 126631511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).