9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine

C52H43N3 — CID 144619497

About 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine

9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine (PubChem CID 144619497) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine.

Molecular Properties

• Compound Name: 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
• PubChem CID: 144619497
• Molecular Formula: C52H43N3
• Molecular Weight: 709.94 g/mol
• Exact Mass: 709.35
• IUPAC Name: 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine
• SMILES: CC1C=C2C(=CC1)c1ccc(N(c3ccc4c(c3)c3ccccc3n4C3=CCCC=C3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1C2(C)C
• InChI: InChI=1S/C52H43N3/c1-34-22-26-40-41-27-23-39(33-47(41)52(2,3)46(40)30-34)53(37-24-28-50-44(31-37)42-18-10-12-20-48(42)54(50)35-14-6-4-7-15-35)38-25-29-51-45(32-38)43-19-11-13-21-49(43)55(51)36-16-8-5-9-17-36/h4,6-8,10-21,23-34H,5,9,22H2,1-3H3
• InChIKey: FLJHMZWKTXUUIU-UHFFFAOYSA-N
• XLogP: 14.19
• TPSA: 13.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.94
LogP ≤ 5	14.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?

The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine (CID 144619497) is 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine.

What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?

The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine is CC1C=C2C(=CC1)c1ccc(N(c3ccc4c(c3)c3ccccc3n4C3=CCCC=C3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc1C2(C)C.

What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?

The InChIKey is FLJHMZWKTXUUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-34-22-26-40-41-27-23-39(33-47(41)52(2,3)46(40)30-34)53(37-24-28-50-44(31-37)42-18-10-12-20-48(42)54(50)35-14-6-4-7-15-35)38-25-29-51-45(32-38)43-19-11-13-21-49(43)55(51)36-16-8-5-9-17-36/h4,6-8,10-21,23-34H,5,9,22H2,1-3H3.

What are the key properties of 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine?

9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine has a molecular weight of 709.94 g/mol, XLogP of 14.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-1,5-dien-1-yl-N-(9-phenylcarbazol-3-yl)-N-(7,9,9-trimethyl-6,7-dihydrofluoren-2-yl)carbazol-3-amine is sourced from PubChem (CID 144619497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).