2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline

C38H29N — CID 169293087

IUPAC2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H29N/c1-38(35-21-11-8-19-33(35)34-20-9-12-22-36(34)38)29-26-24-28(25-27-29)32-18-10-13-23-37(32)39(30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-27H,1H3
InChIKeyXWPYYQXYFNLUEL-UHFFFAOYSA-N
MW499.66 g/mol
LogP10.16
Rot. Bonds5

About 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline

2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline (PubChem CID 169293087) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
PubChem CID169293087
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC Name2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline
SMILESCC1(c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H29N/c1-38(35-21-11-8-19-33(35)34-20-9-12-22-36(34)38)29-26-24-28(25-27-29)32-18-10-13-23-37(32)39(30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-27H,1H3
InChIKeyXWPYYQXYFNLUEL-UHFFFAOYSA-N
XLogP10.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-(4-methylphenyl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 90029841
N,N-diphenyl-2-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 158652942
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 170215498
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170215500
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170217614
9-methyl-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277826
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)aniline
CID 171453283
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
9-(4-tert-butylphenyl)-9-methyl-N-(2-phenylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
CID 166020894
2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 171453726
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-methyl-9-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218423

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline?
The IUPAC name of 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline (CID 169293087) is 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline.
What is the SMILES notation for 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline?
The canonical SMILES for 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline is CC1(c2ccc(-c3ccccc3N(c3ccccc3)c3ccccc3)cc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline?
The InChIKey is XWPYYQXYFNLUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-38(35-21-11-8-19-33(35)34-20-9-12-22-36(34)38)29-26-24-28(25-27-29)32-18-10-13-23-37(32)39(30-14-4-2-5-15-30)31-16-6-3-7-17-31/h2-27H,1H3.
What are the key properties of 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline?
2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline has a molecular weight of 499.66 g/mol, XLogP of 10.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9-methylfluoren-9-yl)phenyl]-N,N-diphenylaniline is sourced from PubChem (CID 169293087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).