3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine

C51H41N3 — CID 131995516

About 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine

3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine (PubChem CID 131995516) has the molecular formula C51H41N3 and a molecular weight of 695.91 g/mol. Its IUPAC name is 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine.

Molecular Properties

• Compound Name: 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine
• PubChem CID: 131995516
• Molecular Formula: C51H41N3
• Molecular Weight: 695.91 g/mol
• Exact Mass: 695.33
• IUPAC Name: 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine
• SMILES: CC1C=C2C(=CC1N(c1ccc(-c3cccnc3)cc1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1)C(C)(C)c1ccccc12
• InChI: InChI=1S/C51H41N3/c1-34-30-44-42-15-7-9-17-46(42)51(2,3)47(44)32-50(34)53(41-26-21-36(22-27-41)38-12-11-29-52-33-38)40-24-19-35(20-25-40)37-23-28-49-45(31-37)43-16-8-10-18-48(43)54(49)39-13-5-4-6-14-39/h4-34,50H,1-3H3
• InChIKey: PSNRRJNLTJNRFV-UHFFFAOYSA-N
• XLogP: 12.97
• 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	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine?

The IUPAC name of 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine (CID 131995516) is 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine.

What is the SMILES notation for 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine?

The canonical SMILES for 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine is CC1C=C2C(=CC1N(c1ccc(-c3cccnc3)cc1)c1ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1)C(C)(C)c1ccccc12.

What is the InChIKey of 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine?

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

What are the key properties of 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine?

3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine has a molecular weight of 695.91 g/mol, XLogP of 12.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3,9,9-trimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)-2,3-dihydrofluoren-2-amine is sourced from PubChem (CID 131995516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).