N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine

C90H60N6 — CID 172537472

About N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine

N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine (PubChem CID 172537472) has the molecular formula C90H60N6 and a molecular weight of 1225.51 g/mol. Its IUPAC name is N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine.

Molecular Properties

• Compound Name: N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
• PubChem CID: 172537472
• Molecular Formula: C90H60N6
• Molecular Weight: 1225.51 g/mol
• Exact Mass: 1224.49
• IUPAC Name: N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
• SMILES: c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C90H60N6/c1-5-21-65(22-6-1)91(71-49-53-87-79(57-71)75-29-13-17-33-83(75)93(87)67-25-9-3-10-26-67)73-51-55-89-81(59-73)77-31-15-19-35-85(77)95(89)69-45-41-63(42-46-69)61-37-39-62(40-38-61)64-43-47-70(48-44-64)96-86-36-20-16-32-78(86)82-60-74(52-56-90(82)96)92(66-23-7-2-8-24-66)72-50-54-88-80(58-72)76-30-14-18-34-84(76)94(88)68-27-11-4-12-28-68/h1-60H
• InChIKey: MJSLPBFPWBDQHV-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 26.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1225.51
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine (CID 172537472) is N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine.

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

The canonical SMILES for N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(N(c7ccccc7)c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc65)cc4)cc3)cc2)cc1.

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

The InChIKey is MJSLPBFPWBDQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60N6/c1-5-21-65(22-6-1)91(71-49-53-87-79(57-71)75-29-13-17-33-83(75)93(87)67-25-9-3-10-26-67)73-51-55-89-81(59-73)77-31-15-19-35-85(77)95(89)69-45-41-63(42-46-69)61-37-39-62(40-38-61)64-43-47-70(48-44-64)96-86-36-20-16-32-78(86)82-60-74(52-56-90(82)96)92(66-23-7-2-8-24-66)72-50-54-88-80(58-72)76-30-14-18-34-84(76)94(88)68-27-11-4-12-28-68/h1-60H.

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

N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine has a molecular weight of 1225.51 g/mol, XLogP of 24.35, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine is sourced from PubChem (CID 172537472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).