N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline

C38H29N — CID 165158441

IUPACN-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESCC1(c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H29N/c1-38(36-16-7-5-14-34(36)35-15-6-8-17-37(35)38)31-13-9-12-30(26-31)29-20-24-33(25-21-29)39-32-22-18-28(19-23-32)27-10-3-2-4-11-27/h2-26,39H,1H3
InChIKeyLKOBELNCHFQVBM-UHFFFAOYSA-N
MW499.66 g/mol
LogP10.10
Rot. Bonds5

About N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline

N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 165158441) has the molecular formula C38H29N and a molecular weight of 499.66 g/mol. Its IUPAC name is N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID165158441
Molecular FormulaC38H29N
Molecular Weight499.66 g/mol
Exact Mass499.23
IUPAC NameN-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline
SMILESCC1(c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C38H29N/c1-38(36-16-7-5-14-34(36)35-15-6-8-17-37(35)38)31-13-9-12-30(26-31)29-20-24-33(25-21-29)39-32-22-18-28(19-23-32)27-10-3-2-4-11-27/h2-26,39H,1H3
InChIKeyLKOBELNCHFQVBM-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-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-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 59357506
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
4-phenyl-N-[4-[2-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline
CID 165158405
9,9-dimethyl-N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 165158461
4-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;ethane
CID 143972766
N-(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 138577304
9-methyl-9-(4-methylphenyl)-N-[4-phenyl-3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118161058
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
N-(4-phenylphenyl)-9,9-bis(trideuteriomethyl)fluoren-2-amine
CID 155619972
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-3-amine
CID 166659129

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline (CID 165158441) is N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline is CC1(c2cccc(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is LKOBELNCHFQVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H29N/c1-38(36-16-7-5-14-34(36)35-15-6-8-17-37(35)38)31-13-9-12-30(26-31)29-20-24-33(25-21-29)39-32-22-18-28(19-23-32)27-10-3-2-4-11-27/h2-26,39H,1H3.
What are the key properties of N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline?
N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 499.66 g/mol, XLogP of 10.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(9-methylfluoren-9-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 165158441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).