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

C62H50N2 — CID 166777833

IUPAC9-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
SMILESCC1C=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(C5C=CC=CC5)c5ccccc5-6)cc4)ccc3N(c3ccccc3)C2C1
InChIInChI=1S/C62H50N2/c1-43-26-37-56-57-41-47(31-39-60(57)64(61(56)40-43)50-22-12-5-13-23-50)46-29-34-52(35-30-46)63(51-32-27-45(28-33-51)44-16-6-2-7-17-44)53-36-38-55-54-24-14-15-25-58(54)62(59(55)42-53,48-18-8-3-9-19-48)49-20-10-4-11-21-49/h2-20,22-39,41-43,49,56,61H,21,40H2,1H3
InChIKeyDTAIGUZURAZVFP-UHFFFAOYSA-N
MW823.10 g/mol
LogP16.14
Rot. Bonds8

About 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

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 (PubChem CID 166777833) has the molecular formula C62H50N2 and a molecular weight of 823.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID166777833
Molecular FormulaC62H50N2
Molecular Weight823.10 g/mol
Exact Mass822.40
IUPAC Name9-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
SMILESCC1C=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(C5C=CC=CC5)c5ccccc5-6)cc4)ccc3N(c3ccccc3)C2C1
InChIInChI=1S/C62H50N2/c1-43-26-37-56-57-41-47(31-39-60(57)64(61(56)40-43)50-22-12-5-13-23-50)46-29-34-52(35-30-46)63(51-32-27-45(28-33-51)44-16-6-2-7-17-44)53-36-38-55-54-24-14-15-25-58(54)62(59(55)42-53,48-18-8-3-9-19-48)49-20-10-4-11-21-49/h2-20,22-39,41-43,49,56,61H,21,40H2,1H3
InChIKeyDTAIGUZURAZVFP-UHFFFAOYSA-N
XLogP16.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.10
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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

9,9-dimethyl-N-[4-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 144896810
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-[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-(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
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-2-(7-iodonaphthalen-2-yl)-9-phenylfluorene
CID 126546614
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
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
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-[2-[(Z)-but-1-en-3-ynyl]-3-methyl-1-phenyl-2,3-dihydroindol-5-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154950141
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1C=CC2c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(c5ccccc5)(C5C=CC=CC5)c5ccccc5-6)cc4)ccc3N(c3ccccc3)C2C1.
What is the InChIKey of 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?
The InChIKey is DTAIGUZURAZVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H50N2/c1-43-26-37-56-57-41-47(31-39-60(57)64(61(56)40-43)50-22-12-5-13-23-50)46-29-34-52(35-30-46)63(51-32-27-45(28-33-51)44-16-6-2-7-17-44)53-36-38-55-54-24-14-15-25-58(54)62(59(55)42-53,48-18-8-3-9-19-48)49-20-10-4-11-21-49/h2-20,22-39,41-43,49,56,61H,21,40H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 823.10 g/mol, XLogP of 16.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).