N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

C76H50N4 — CID 118402405

About N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 118402405) has the molecular formula C76H50N4 and a molecular weight of 1019.26 g/mol. Its IUPAC name is N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
• PubChem CID: 118402405
• Molecular Formula: C76H50N4
• Molecular Weight: 1019.26 g/mol
• Exact Mass: 1018.40
• IUPAC Name: N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C76H50N4/c1-2-17-58(18-3-1)77(70-28-14-16-55-15-4-5-19-63(55)70)59-39-29-51(30-40-59)52-31-41-62(42-32-52)80-75-47-37-56(53-33-43-60(44-34-53)78-71-24-10-6-20-64(71)65-21-7-11-25-72(65)78)49-68(75)69-50-57(38-48-76(69)80)54-35-45-61(46-36-54)79-73-26-12-8-22-66(73)67-23-9-13-27-74(67)79/h1-50H
• InChIKey: AKWWAXPYDWUALU-UHFFFAOYSA-N
• XLogP: 20.60
• TPSA: 18.03 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1019.26
LogP ≤ 5	20.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The IUPAC name of N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 118402405) is N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine.

What is the SMILES notation for N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The canonical SMILES for N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

The InChIKey is AKWWAXPYDWUALU-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H50N4/c1-2-17-58(18-3-1)77(70-28-14-16-55-15-4-5-19-63(55)70)59-39-29-51(30-40-59)52-31-41-62(42-32-52)80-75-47-37-56(53-33-43-60(44-34-53)78-71-24-10-6-20-64(71)65-21-7-11-25-72(65)78)49-68(75)69-50-57(38-48-76(69)80)54-35-45-61(46-36-54)79-73-26-12-8-22-66(73)67-23-9-13-27-74(67)79/h1-50H.

What are the key properties of N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine?

N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 1019.26 g/mol, XLogP of 20.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 118402405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).