9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

C64H51N — CID 144810452

IUPAC9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)c2)=CCC1c1ccccc1/C=C\c1ccccc1
InChIInChI=1S/C64H51N/c1-46-43-52(37-41-58(46)59-30-15-14-23-50(59)34-33-47-19-6-2-7-20-47)51-24-18-29-56(44-51)65(55-38-35-49(36-39-55)48-21-8-3-9-22-48)57-40-42-63-61(45-57)60-31-16-17-32-62(60)64(63,53-25-10-4-11-26-53)54-27-12-5-13-28-54/h2-27,29-40,42-45,54,58H,28,41H2,1H3/b34-33-
InChIKeyRPHCDOHPEKGNAE-YHZPTAEISA-N
MW834.12 g/mol
LogP16.96
Rot. Bonds10

About 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine

9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 144810452) has the molecular formula C64H51N and a molecular weight of 834.12 g/mol. Its IUPAC name is 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID144810452
Molecular FormulaC64H51N
Molecular Weight834.12 g/mol
Exact Mass833.40
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)c2)=CCC1c1ccccc1/C=C\c1ccccc1
InChIInChI=1S/C64H51N/c1-46-43-52(37-41-58(46)59-30-15-14-23-50(59)34-33-47-19-6-2-7-20-47)51-24-18-29-56(44-51)65(55-38-35-49(36-39-55)48-21-8-3-9-22-48)57-40-42-63-61(45-57)60-31-16-17-32-62(60)64(63,53-25-10-4-11-26-53)54-27-12-5-13-28-54/h2-27,29-40,42-45,54,58H,28,41H2,1H3/b34-33-
InChIKeyRPHCDOHPEKGNAE-YHZPTAEISA-N
XLogP16.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.12
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-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

4-benzyl-3-(2-benzylphenyl)-N-[4-(9-cyclohexa-2,4-dien-1-ylfluoren-9-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 144995098
9-cyclohexa-2,4-dien-1-yl-N,9-diphenyl-N-[3-(2-phenyl-21-thia-2-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(23),3,5,7,9,11,13(24),14(22),15(20),16,18-undecaen-17-yl)phenyl]fluoren-3-amine
CID 145313382
9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140995
N-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)-7,9,9-trimethyl-N-(4-phenylphenyl)fluoren-2-amine;9-methyl-10-(2-methylphenyl)phenanthrene
CID 144741257
9-cyclohexa-2,4-dien-1-yl-N-[2-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 118462727
9-cyclohexa-2,4-dien-1-yl-N-[4-(7-methyl-9-phenyl-4b,7,8,8a-tetrahydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 166777833
N-[4-(9-cyclohexa-2,4-dien-1-yl-9-phenylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558180
4-(9,9-dimethyl-4,4a-dihydrofluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 138529075
9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
9-cyclohexa-2,4-dien-1-yl-N-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-9-phenyl-N-[3-phenyl-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 134194356
N-[4-[4-[3,4-bis[(1Z)-buta-1,3-dienyl]phenyl]phenyl]phenyl]-9-cyclohexa-2,4-dien-1-yl-9-phenyl-N-(2,3,5,6-tetradeuterio-4-hexa-1,5-dien-2-ylphenyl)fluoren-2-amine
CID 153471068
2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 59705560

Frequently Asked Questions

What is the IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine (CID 144810452) is 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is CC1=CC(c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)C3C=CC=CC3)c2)=CCC1c1ccccc1/C=C\c1ccccc1.
What is the InChIKey of 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is RPHCDOHPEKGNAE-YHZPTAEISA-N. The full InChI is InChI=1S/C64H51N/c1-46-43-52(37-41-58(46)59-30-15-14-23-50(59)34-33-47-19-6-2-7-20-47)51-24-18-29-56(44-51)65(55-38-35-49(36-39-55)48-21-8-3-9-22-48)57-40-42-63-61(45-57)60-31-16-17-32-62(60)64(63,53-25-10-4-11-26-53)54-27-12-5-13-28-54/h2-27,29-40,42-45,54,58H,28,41H2,1H3/b34-33-.
What are the key properties of 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 834.12 g/mol, XLogP of 16.96, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexa-2,4-dien-1-yl-N-[3-[5-methyl-4-[2-[(Z)-2-phenylethenyl]phenyl]cyclohexa-1,5-dien-1-yl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 144810452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).