2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one

C40H34N2O — CID 156790154

IUPAC2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)CC2=C3C=CC(N(c3cccc(C)c3)c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C40H34N2O/c1-27-10-7-15-32(22-27)41(31-13-5-4-6-14-31)35-18-19-36-30(25-35)26-38-37(36)20-21-39(40(38)43)42(33-16-8-11-28(2)23-33)34-17-9-12-29(3)24-34/h4-25,39H,26H2,1-3H3
InChIKeyNFKBLHJGOIIRKK-UHFFFAOYSA-N
MW558.73 g/mol
LogP9.74
Rot. Bonds6

About 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one

2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one (PubChem CID 156790154) has the molecular formula C40H34N2O and a molecular weight of 558.73 g/mol. Its IUPAC name is 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one.

Molecular Properties

Compound Name2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one
PubChem CID156790154
Molecular FormulaC40H34N2O
Molecular Weight558.73 g/mol
Exact Mass558.27
IUPAC Name2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one
SMILESCc1cccc(N(c2ccccc2)c2ccc3c(c2)CC2=C3C=CC(N(c3cccc(C)c3)c3cccc(C)c3)C2=O)c1
InChIInChI=1S/C40H34N2O/c1-27-10-7-15-32(22-27)41(31-13-5-4-6-14-31)35-18-19-36-30(25-35)26-38-37(36)20-21-39(40(38)43)42(33-16-8-11-28(2)23-33)34-17-9-12-29(3)24-34/h4-25,39H,26H2,1-3H3
InChIKeyNFKBLHJGOIIRKK-UHFFFAOYSA-N
XLogP9.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.73
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methyl-N,N-diphenylaniline
CID 145208007
1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
2,3-dimethyl-N,N-diphenyl-1,4-dihydrocyclopenta[a]inden-6-amine
CID 143462493
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)-4-phenylanilino)-2-phenylphenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 20758364
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
3-methyl-4-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
CID 20562854
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one?
The IUPAC name of 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one (CID 156790154) is 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one.
What is the SMILES notation for 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one?
The canonical SMILES for 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one is Cc1cccc(N(c2ccccc2)c2ccc3c(c2)CC2=C3C=CC(N(c3cccc(C)c3)c3cccc(C)c3)C2=O)c1.
What is the InChIKey of 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one?
The InChIKey is NFKBLHJGOIIRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34N2O/c1-27-10-7-15-32(22-27)41(31-13-5-4-6-14-31)35-18-19-36-30(25-35)26-38-37(36)20-21-39(40(38)43)42(33-16-8-11-28(2)23-33)34-17-9-12-29(3)24-34/h4-25,39H,26H2,1-3H3.
What are the key properties of 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one?
2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one has a molecular weight of 558.73 g/mol, XLogP of 9.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-N-(3-methylphenyl)anilino)-7-(N-(3-methylphenyl)anilino)-2,9-dihydrofluoren-1-one is sourced from PubChem (CID 156790154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).