N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine

C70H48N6 — CID 134236708

About N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine

N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine (PubChem CID 134236708) has the molecular formula C70H48N6 and a molecular weight of 973.20 g/mol. Its IUPAC name is N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
• PubChem CID: 134236708
• Molecular Formula: C70H48N6
• Molecular Weight: 973.20 g/mol
• Exact Mass: 972.39
• IUPAC Name: N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine
• SMILES: c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1
• InChI: InChI=1S/C70H48N6/c1-6-23-49(24-7-1)58-35-16-17-36-59(58)65-48-64(71-70(72-65)76-67-40-21-19-38-61(67)63-47-57(42-44-69(63)76)74(53-30-12-4-13-31-53)54-32-14-5-15-33-54)50-25-22-34-55(45-50)75-66-39-20-18-37-60(66)62-46-56(41-43-68(62)75)73(51-26-8-2-9-27-51)52-28-10-3-11-29-52/h1-48H
• InChIKey: NGXUFPPDVATNOL-UHFFFAOYSA-N
• XLogP: 18.61
• TPSA: 42.12 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	973.20
LogP ≤ 5	18.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine (CID 134236708) is N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine.

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

The canonical SMILES for N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine is c1ccc(-c2ccccc2-c2cc(-c3cccc(-n4c5ccccc5c5cc(N(c6ccccc6)c6ccccc6)ccc54)c3)nc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1.

What is the InChIKey of N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine?

The InChIKey is NGXUFPPDVATNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H48N6/c1-6-23-49(24-7-1)58-35-16-17-36-59(58)65-48-64(71-70(72-65)76-67-40-21-19-38-61(67)63-47-57(42-44-69(63)76)74(53-30-12-4-13-31-53)54-32-14-5-15-33-54)50-25-22-34-55(45-50)75-66-39-20-18-37-60(66)62-46-56(41-43-68(62)75)73(51-26-8-2-9-27-51)52-28-10-3-11-29-52/h1-48H.

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

N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine has a molecular weight of 973.20 g/mol, XLogP of 18.61, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-9-[3-[2-[3-(N-phenylanilino)carbazol-9-yl]-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 134236708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).