3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline

C32H27N — CID 163520915

IUPAC3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
SMILESCc1ccc(C2(c3cccc(Nc4ccccc4)c3)C3=C(C=CCC3)c3ccccc32)cc1
InChIInChI=1S/C32H27N/c1-23-18-20-24(21-19-23)32(25-10-9-13-27(22-25)33-26-11-3-2-4-12-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-7,9-16,18-22,33H,8,17H2,1H3
InChIKeyDKSJHPGQNHSLKP-UHFFFAOYSA-N
MW425.58 g/mol
LogP8.19
Rot. Bonds4

About 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline

3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline (PubChem CID 163520915) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline.

Molecular Properties

Compound Name3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
PubChem CID163520915
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC Name3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline
SMILESCc1ccc(C2(c3cccc(Nc4ccccc4)c3)C3=C(C=CCC3)c3ccccc32)cc1
InChIInChI=1S/C32H27N/c1-23-18-20-24(21-19-23)32(25-10-9-13-27(22-25)33-26-11-3-2-4-12-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-7,9-16,18-22,33H,8,17H2,1H3
InChIKeyDKSJHPGQNHSLKP-UHFFFAOYSA-N
XLogP8.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline 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-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
CID 145328119
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
10-(4-methylphenyl)-10-phenyl-9H-benzo[a]azulene
CID 142527160
4-[9-(4-aminophenyl)-1,2-dihydrofluoren-9-yl]aniline
CID 89008919
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 137427270
N,4-diphenyl-N-[4-[4-(9-phenyl-1,2-dihydrofluoren-9-yl)phenyl]phenyl]aniline
CID 70822820
7-phenyl-9-[3-(3-phenylphenyl)phenyl]-9-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]-1,2-dihydrofluorene
CID 145189166
3-methyl-N-phenyl-5-(9-phenylfluoren-9-yl)aniline
CID 129026642
3'-bromo-6'-methylspiro[1,2-dihydrofluorene-9,9'-fluorene]
CID 123378700
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2,6-difluoroanthracene
CID 89208399
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-10-(9,9-diphenylfluoren-2-yl)-2-fluoroanthracene
CID 89208400

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline?
The IUPAC name of 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline (CID 163520915) is 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline.
What is the SMILES notation for 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline?
The canonical SMILES for 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline is Cc1ccc(C2(c3cccc(Nc4ccccc4)c3)C3=C(C=CCC3)c3ccccc32)cc1.
What is the InChIKey of 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline?
The InChIKey is DKSJHPGQNHSLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-23-18-20-24(21-19-23)32(25-10-9-13-27(22-25)33-26-11-3-2-4-12-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32/h2-7,9-16,18-22,33H,8,17H2,1H3.
What are the key properties of 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline?
3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline has a molecular weight of 425.58 g/mol, XLogP of 8.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(4-methylphenyl)-1,2-dihydrofluoren-9-yl]-N-phenylaniline is sourced from PubChem (CID 163520915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).