9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine

C51H41N3 — CID 155064803

About 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine (PubChem CID 155064803) has the molecular formula C51H41N3 and a molecular weight of 695.91 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
• PubChem CID: 155064803
• Molecular Formula: C51H41N3
• Molecular Weight: 695.91 g/mol
• Exact Mass: 695.33
• IUPAC Name: 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine
• SMILES: CC1CC(c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)=Cc2c1n(-c1ccccc1)c1ccccc21
• InChI: InChI=1S/C51H41N3/c1-34-30-38(31-46-45-16-8-10-18-49(45)54(50(34)46)39-13-5-4-6-14-39)36-21-25-41(26-22-36)53(40-23-19-35(20-24-40)37-12-11-29-52-33-37)42-27-28-44-43-15-7-9-17-47(43)51(2,3)48(44)32-42/h4-29,31-34H,30H2,1-3H3
• InChIKey: JPBQWTVXEXCRSG-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	695.91
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine (CID 155064803) is 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine is CC1CC(c2ccc(N(c3ccc(-c4cccnc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)=Cc2c1n(-c1ccccc1)c1ccccc21.

What is the InChIKey of 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?

The InChIKey is JPBQWTVXEXCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N3/c1-34-30-38(31-46-45-16-8-10-18-49(45)54(50(34)46)39-13-5-4-6-14-39)36-21-25-41(26-22-36)53(40-23-19-35(20-24-40)37-12-11-29-52-33-37)42-27-28-44-43-15-7-9-17-47(43)51(2,3)48(44)32-42/h4-29,31-34H,30H2,1-3H3.

What are the key properties of 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine has a molecular weight of 695.91 g/mol, XLogP of 13.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 155064803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).