N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole

C106H72N8 — CID 161375689

About N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole

N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 161375689) has the molecular formula C106H72N8 and a molecular weight of 1457.80 g/mol. Its IUPAC name is N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 161375689
• Molecular Formula: C106H72N8
• Molecular Weight: 1457.80 g/mol
• Exact Mass: 1456.59
• IUPAC Name: N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1
• InChI: InChI=1S/C60H42N4.C46H30N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-4-14-31(15-5-1)40-30-45(48-46(47-40)32-16-6-2-7-17-32)50-42-23-13-11-21-37(42)39-29-34(25-27-44(39)50)33-24-26-43-38(28-33)36-20-10-12-22-41(36)49(43)35-18-8-3-9-19-35/h1-42H;1-30H
• InChIKey: VRAXNIHWQMFACF-UHFFFAOYSA-N
• XLogP: 28.16
• TPSA: 51.98 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1457.80
LogP ≤ 5	28.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole?

The IUPAC name of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole (CID 161375689) is N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole.

What is the SMILES notation for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole?

The canonical SMILES for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)nc(-c3ccccc3)n2)cc1.c1ccc(N(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)cc2)cc1.

What is the InChIKey of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is VRAXNIHWQMFACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42N4.C46H30N4/c1-5-17-45(18-6-1)61(46-19-7-2-8-20-46)49-31-35-51(36-32-49)63-57-27-15-13-25-53(57)55-41-43(29-39-59(55)63)44-30-40-60-56(42-44)54-26-14-16-28-58(54)64(60)52-37-33-50(34-38-52)62(47-21-9-3-10-22-47)48-23-11-4-12-24-48;1-4-14-31(15-5-1)40-30-45(48-46(47-40)32-16-6-2-7-17-32)50-42-23-13-11-21-37(42)39-29-34(25-27-44(39)50)33-24-26-43-38(28-33)36-20-10-12-22-41(36)49(43)35-18-8-3-9-19-35/h1-42H;1-30H.

What are the key properties of N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole?

N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1457.80 g/mol, XLogP of 28.16, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-4-[3-[9-[4-(N-phenylanilino)phenyl]carbazol-3-yl]carbazol-9-yl]aniline;3-[9-(2,6-diphenylpyrimidin-4-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 161375689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).