9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine

C67H46N2 — CID 118462477

About 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine

9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine (PubChem CID 118462477) has the molecular formula C67H46N2 and a molecular weight of 879.12 g/mol. Its IUPAC name is 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
• PubChem CID: 118462477
• Molecular Formula: C67H46N2
• Molecular Weight: 879.12 g/mol
• Exact Mass: 878.37
• IUPAC Name: 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
• SMILES: c1ccc(-c2cccc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1
• InChI: InChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-24-18-32-56(43-50)68(58-39-40-60-59-34-13-15-36-63(59)67(64(60)46-58,53-26-7-2-8-27-53)54-28-9-3-10-29-54)57-33-19-25-51(44-57)48-22-17-23-49(42-48)52-38-41-66-62(45-52)61-35-14-16-37-65(61)69(66)55-30-11-4-12-31-55/h1-46H
• InChIKey: BAIMSGIRKWFPBN-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.12
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine (CID 118462477) is 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)c3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)cc1.

What is the InChIKey of 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

The InChIKey is BAIMSGIRKWFPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H46N2/c1-5-20-47(21-6-1)50-24-18-32-56(43-50)68(58-39-40-60-59-34-13-15-36-63(59)67(64(60)46-58,53-26-7-2-8-27-53)54-28-9-3-10-29-54)57-33-19-25-51(44-57)48-22-17-23-49(42-48)52-38-41-66-62(45-52)61-35-14-16-37-65(61)69(66)55-30-11-4-12-31-55/h1-46H.

What are the key properties of 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine?

9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine has a molecular weight of 879.12 g/mol, XLogP of 17.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118462477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).