9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine

C29H29N — CID 123266293

IUPAC9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H29N/c1-20-9-13-22(14-10-20)30(23-15-11-21(2)12-16-23)24-17-18-26-25-7-5-6-8-27(25)29(3,4)28(26)19-24/h5-11,13-19,21H,12H2,1-4H3
InChIKeyPXXWJGSWMQKLNY-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.92
Rot. Bonds3

About 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine

9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine (PubChem CID 123266293) has the molecular formula C29H29N and a molecular weight of 391.56 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
PubChem CID123266293
Molecular FormulaC29H29N
Molecular Weight391.56 g/mol
Exact Mass391.23
IUPAC Name9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
SMILESCc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C29H29N/c1-20-9-13-22(14-10-20)30(23-15-11-21(2)12-16-23)24-17-18-26-25-7-5-6-8-27(25)29(3,4)28(26)19-24/h5-11,13-19,21H,12H2,1-4H3
InChIKeyPXXWJGSWMQKLNY-UHFFFAOYSA-N
XLogP7.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)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

7-[4-[9,9-dimethyl-7-(4-methyl-N-(4-methylphenyl)anilino)fluoren-2-yl]-2,5-dimethylphenyl]-9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine
CID 58918406
9,9-dimethyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 11111910
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)fluoren-2-amine
CID 134320783
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 164821085
N-(9,9-dimethylfluoren-2-yl)-7,9,9-trimethyl-N-(7,9,9-trimethylfluoren-2-yl)fluoren-2-amine
CID 151367226
2'-[(4-methylcyclohexa-1,3-dien-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)amino]-7'-(4-methyl-N-(4-methylphenyl)anilino)-9,9'-spirobi[fluorene]-2,7-dicarbonitrile
CID 134445079
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-[2-(4-methylcyclohexa-1,5-dien-1-yl)-4-phenylphenyl]fluoren-2-amine
CID 142481137
N-[4-[2-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-4-methylanilino)phenyl]phenyl]ethenyl]phenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 91399665
N,N-bis(9,9-dimethylfluoren-3-yl)-7,9,9-trimethylfluoren-2-amine
CID 163882146
6-N-(4-methylcyclohexa-1,5-dien-1-yl)-6-N,12-N-bis(4-methylphenyl)-12-N-phenylchrysene-6,12-diamine
CID 155198350
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine (CID 123266293) is 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine is Cc1ccc(N(C2=CCC(C)C=C2)c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
The InChIKey is PXXWJGSWMQKLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N/c1-20-9-13-22(14-10-20)30(23-15-11-21(2)12-16-23)24-17-18-26-25-7-5-6-8-27(25)29(3,4)28(26)19-24/h5-11,13-19,21H,12H2,1-4H3.
What are the key properties of 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine?
9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine has a molecular weight of 391.56 g/mol, XLogP of 7.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 123266293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).