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

C62H47N — CID 170140995

IUPAC9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cccc21
InChIInChI=1S/C62H47N/c1-61(2)56-31-18-29-53(60(56)54-39-44-21-12-13-22-45(44)40-57(54)61)52-28-15-17-32-59(52)63(48-35-33-43(34-36-48)42-19-6-3-7-20-42)49-37-38-51-50-27-14-16-30-55(50)62(58(51)41-49,46-23-8-4-9-24-46)47-25-10-5-11-26-47/h3-25,27-41,47H,26H2,1-2H3
InChIKeyZCDBIGUGICCWDI-UHFFFAOYSA-N
MW806.07 g/mol
LogP16.40
Rot. Bonds7

About 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

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 (PubChem CID 170140995) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID170140995
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC Name9-cyclohexa-2,4-dien-1-yl-N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cccc21
InChIInChI=1S/C62H47N/c1-61(2)56-31-18-29-53(60(56)54-39-44-21-12-13-22-45(44)40-57(54)61)52-28-15-17-32-59(52)63(48-35-33-43(34-36-48)42-19-6-3-7-20-42)49-37-38-51-50-27-14-16-30-55(50)62(58(51)41-49,46-23-8-4-9-24-46)47-25-10-5-11-26-47/h3-25,27-41,47H,26H2,1-2H3
InChIKeyZCDBIGUGICCWDI-UHFFFAOYSA-N
XLogP16.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 516.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 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-[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
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
N-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 170143912
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-9-phenyl-N-[3-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 156558937
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170135425
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
CID 166031628
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
9-cyclohexa-2,4-dien-1-yl-N-(9,9-dimethyl-7-phenyl-7,8-dihydrofluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)fluoren-4-amine
CID 126548666
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 170142242
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(C3C=CC=CC3)c3ccccc3-4)cccc21.
What is the InChIKey of 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?
The InChIKey is ZCDBIGUGICCWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H47N/c1-61(2)56-31-18-29-53(60(56)54-39-44-21-12-13-22-45(44)40-57(54)61)52-28-15-17-32-59(52)63(48-35-33-43(34-36-48)42-19-6-3-7-20-42)49-37-38-51-50-27-14-16-30-55(50)62(58(51)41-49,46-23-8-4-9-24-46)47-25-10-5-11-26-47/h3-25,27-41,47H,26H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 806.07 g/mol, XLogP of 16.40, 7 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-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170140995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).