N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

C92H59N5 — CID 121311239

About N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine

N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (PubChem CID 121311239) has the molecular formula C92H59N5 and a molecular weight of 1234.52 g/mol. Its IUPAC name is N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.

Molecular Properties

• Compound Name: N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
• PubChem CID: 121311239
• Molecular Formula: C92H59N5
• Molecular Weight: 1234.52 g/mol
• Exact Mass: 1233.48
• IUPAC Name: N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
• SMILES: c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
• InChI: InChI=1S/C92H59N5/c1-3-23-70(24-4-1)94-85-31-15-13-29-79(85)83-58-75(45-49-91(83)94)93(76-46-50-92-84(59-76)80-30-14-16-32-86(80)95(92)71-25-5-2-6-26-71)72-41-35-62(36-42-72)67-51-68(65-39-47-89-81(56-65)77-27-11-17-33-87(77)96(89)73-43-37-60-19-7-9-21-63(60)54-73)53-69(52-67)66-40-48-90-82(57-66)78-28-12-18-34-88(78)97(90)74-44-38-61-20-8-10-22-64(61)55-74/h1-59H
• InChIKey: XMZPGDBOJUPETQ-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 22.96 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1234.52
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The IUPAC name of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine (CID 121311239) is N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine.

What is the SMILES notation for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The canonical SMILES for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is c1ccc(-n2c3ccccc3c3cc(N(c4ccc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)c5)cc4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.

What is the InChIKey of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?

The InChIKey is XMZPGDBOJUPETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H59N5/c1-3-23-70(24-4-1)94-85-31-15-13-29-79(85)83-58-75(45-49-91(83)94)93(76-46-50-92-84(59-76)80-30-14-16-32-86(80)95(92)71-25-5-2-6-26-71)72-41-35-62(36-42-72)67-51-68(65-39-47-89-81(56-65)77-27-11-17-33-87(77)96(89)73-43-37-60-19-7-9-21-63(60)54-73)53-69(52-67)66-40-48-90-82(57-66)78-28-12-18-34-88(78)97(90)74-44-38-61-20-8-10-22-64(61)55-74/h1-59H.

What are the key properties of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine?

N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine has a molecular weight of 1234.52 g/mol, XLogP of 24.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine is sourced from PubChem (CID 121311239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).