4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline

C31H30N2 — CID 90686411

IUPAC4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline
SMILES[H]/N=C/c1c(-c2cccc3c2Cc2ccccc2-3)ccc(N(C)C)c1-c1ccc(C)c(C)c1C
InChIInChI=1S/C31H30N2/c1-19-13-14-23(21(3)20(19)2)31-29(18-32)27(15-16-30(31)33(4)5)26-12-8-11-25-24-10-7-6-9-22(24)17-28(25)26/h6-16,18,32H,17H2,1-5H3/b32-18+
InChIKeyVDKIUDSOMARSAJ-KCSSXMTESA-N
MW430.60 g/mol
LogP7.58
Rot. Bonds4

About 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline

4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline (PubChem CID 90686411) has the molecular formula C31H30N2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline
PubChem CID90686411
Molecular FormulaC31H30N2
Molecular Weight430.60 g/mol
Exact Mass430.24
IUPAC Name4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline
SMILES[H]/N=C/c1c(-c2cccc3c2Cc2ccccc2-3)ccc(N(C)C)c1-c1ccc(C)c(C)c1C
InChIInChI=1S/C31H30N2/c1-19-13-14-23(21(3)20(19)2)31-29(18-32)27(15-16-30(31)33(4)5)26-12-8-11-25-24-10-7-6-9-22(24)17-28(25)26/h6-16,18,32H,17H2,1-5H3/b32-18+
InChIKeyVDKIUDSOMARSAJ-KCSSXMTESA-N
XLogP7.58
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline 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

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
3-[1-(3-hydroxy-2-methylphenyl)-9H-fluoren-2-yl]-2-methylphenol
CID 160868332
1-carbamimidoyl-1-(9H-fluoren-1-yl)guanidine
CID 151786847
1,2-bis(2-methylphenyl)-9H-fluorene
CID 23369064
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
1-[4-[1-methanimidoyl-3-(2,3,4-trimethylphenyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 91427773
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
1,3-dimethyl-11,12-dihydroindeno[2,1-a]fluorene
CID 59147149
[2-[2-(9H-fluoren-1-yl)cyclohexyl]naphthalen-1-yl]methanimine
CID 91218088
1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
CID 159443497

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline?
The IUPAC name of 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline (CID 90686411) is 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline.
What is the SMILES notation for 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline?
The canonical SMILES for 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline is [H]/N=C/c1c(-c2cccc3c2Cc2ccccc2-3)ccc(N(C)C)c1-c1ccc(C)c(C)c1C.
What is the InChIKey of 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline?
The InChIKey is VDKIUDSOMARSAJ-KCSSXMTESA-N. The full InChI is InChI=1S/C31H30N2/c1-19-13-14-23(21(3)20(19)2)31-29(18-32)27(15-16-30(31)33(4)5)26-12-8-11-25-24-10-7-6-9-22(24)17-28(25)26/h6-16,18,32H,17H2,1-5H3/b32-18+.
What are the key properties of 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline?
4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline has a molecular weight of 430.60 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)-3-methanimidoyl-N,N-dimethyl-2-(2,3,4-trimethylphenyl)aniline is sourced from PubChem (CID 90686411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).