N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine

C52H48N2 — CID 134591959

About N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine

N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine (PubChem CID 134591959) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine.

Molecular Properties

• Compound Name: N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
• PubChem CID: 134591959
• Molecular Formula: C52H48N2
• Molecular Weight: 700.97 g/mol
• Exact Mass: 700.38
• IUPAC Name: N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine
• SMILES: CC1C=CC2=C(C1)C(C)(C)C1CC(N(C3=CC=CCC3)C3C=CC(c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)=CC3)=CC=C21
• InChI: InChI=1S/C52H48N2/c1-35-18-29-44-45-30-28-43(34-49(45)52(2,3)48(44)32-35)53(40-14-8-5-9-15-40)41-24-21-38(22-25-41)39-23-31-51-47(33-39)46-16-10-11-17-50(46)54(51)42-26-19-37(20-27-42)36-12-6-4-7-13-36/h4-8,10-14,16-24,26-31,33,35,41,49H,9,15,25,32,34H2,1-3H3
• InChIKey: DYEBTDUUFNOXBF-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	700.97
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine?

The IUPAC name of N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine (CID 134591959) is N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine.

What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine?

The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine is CC1C=CC2=C(C1)C(C)(C)C1CC(N(C3=CC=CCC3)C3C=CC(c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccccc5)cc4)=CC3)=CC=C21.

What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine?

The InChIKey is DYEBTDUUFNOXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-35-18-29-44-45-30-28-43(34-49(45)52(2,3)48(44)32-35)53(40-14-8-5-9-15-40)41-24-21-38(22-25-41)39-23-31-51-47(33-39)46-16-10-11-17-50(46)54(51)42-26-19-37(20-27-42)36-12-6-4-7-13-36/h4-8,10-14,16-24,26-31,33,35,41,49H,9,15,25,32,34H2,1-3H3.

What are the key properties of N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine?

N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine has a molecular weight of 700.97 g/mol, XLogP of 13.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexa-1,3-dien-1-yl-7,9,9-trimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]cyclohexa-2,4-dien-1-yl]-1,7,8,9a-tetrahydrofluoren-2-amine is sourced from PubChem (CID 134591959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).