2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine

C32H31N — CID 135199373

IUPAC2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine
SMILESCC/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2-c2ccc(C3=C(N)CCC=C3)cc21
InChIInChI=1S/C32H31N/c1-3-4-6-13-23(2)32(25-14-7-5-8-15-25)29-18-11-9-17-27(29)28-21-20-24(22-30(28)32)26-16-10-12-19-31(26)33/h4-11,13-18,20-22H,3,12,19,33H2,1-2H3/b6-4-,23-13+
InChIKeyWCTMMQZRAOSOPU-VBLQZMESSA-N
MW429.61 g/mol
LogP7.93
Rot. Bonds5

About 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine

2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine (PubChem CID 135199373) has the molecular formula C32H31N and a molecular weight of 429.61 g/mol. Its IUPAC name is 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine
PubChem CID135199373
Molecular FormulaC32H31N
Molecular Weight429.61 g/mol
Exact Mass429.25
IUPAC Name2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine
SMILESCC/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2-c2ccc(C3=C(N)CCC=C3)cc21
InChIInChI=1S/C32H31N/c1-3-4-6-13-23(2)32(25-14-7-5-8-15-25)29-18-11-9-17-27(29)28-21-20-24(22-30(28)32)26-16-10-12-19-31(26)33/h4-11,13-18,20-22H,3,12,19,33H2,1-2H3/b6-4-,23-13+
InChIKeyWCTMMQZRAOSOPU-VBLQZMESSA-N
XLogP7.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[6-[7-(2-aminocyclohexa-1,5-dien-1-yl)-9-ethyl-9-methylfluoren-2-yl]cyclohexa-1,5-dien-1-yl]methyl]methanediamine
CID 143207740
N-[9-[(3E)-penta-1,3-dien-3-yl]-9-phenylfluoren-2-yl]-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-17-amine
CID 138581486
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
9,9-dimethyl-2-[4-methyl-3-(2-methylcyclohexa-1,5-dien-1-yl)phenyl]fluorene
CID 145212388
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
4-[9-[(E)-but-2-en-2-yl]-9-(4-methylphenyl)fluoren-2-yl]-2-methyl-N-prop-2-enylaniline
CID 143811419
1'-[(Z)-but-1-enyl]-2'-[4-(4-chlorophenyl)phenyl]spiro[1,2-dihydrofluorene-9,3'-4,5-dihydroindene]
CID 166825100
2'-(4-methylphenyl)spiro[1,2,5,6-tetrahydrofluorene-9,9'-fluorene]
CID 142508879
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
CID 89208399
9-[(2E,4Z)-hexa-2,4-dien-2-yl]-9-phenylxanthene
CID 167095127
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400
10-phenyl-2-(10'-phenylspiro[1,2-dihydrofluorene-9,9'-acridine]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 142356343

Frequently Asked Questions

What is the IUPAC name of 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine (CID 135199373) is 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine is CC/C=C\C=C(/C)C1(c2ccccc2)c2ccccc2-c2ccc(C3=C(N)CCC=C3)cc21.
What is the InChIKey of 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine?
The InChIKey is WCTMMQZRAOSOPU-VBLQZMESSA-N. The full InChI is InChI=1S/C32H31N/c1-3-4-6-13-23(2)32(25-14-7-5-8-15-25)29-18-11-9-17-27(29)28-21-20-24(22-30(28)32)26-16-10-12-19-31(26)33/h4-11,13-18,20-22H,3,12,19,33H2,1-2H3/b6-4-,23-13+.
What are the key properties of 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine?
2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine has a molecular weight of 429.61 g/mol, XLogP of 7.93, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[(2E,4Z)-hepta-2,4-dien-2-yl]-9-phenylfluoren-2-yl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 135199373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).