N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

C52H35NO — CID 135277270

IUPACN-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccc6ccccc6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-25-29-45(30-26-40)53(44-15-5-2-6-16-44)46-31-27-41(28-32-46)49-35-52-50(47-17-9-10-18-51(47)54-52)34-48(49)43-24-23-37-13-7-8-14-42(37)33-43/h1-35H
InChIKeyDAWNKPWOGYKRMZ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline

N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (PubChem CID 135277270) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
PubChem CID135277270
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccc6ccccc6c5)cc4)cc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-25-29-45(30-26-40)53(44-15-5-2-6-16-44)46-31-27-41(28-32-46)49-35-52-50(47-17-9-10-18-51(47)54-52)34-48(49)43-24-23-37-13-7-8-14-42(37)33-43/h1-35H
InChIKeyDAWNKPWOGYKRMZ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)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

N,4-diphenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]aniline
CID 135277320
4-phenyl-N-[4-[4-(2-phenyldibenzofuran-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 135277321
N-(4-dibenzofuran-3-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline
CID 166974853
N-(3-naphthalen-2-yl-4-phenylphenyl)-N-phenyl-10-oxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16(21),17,19-decaen-19-amine
CID 176766345
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(4-dibenzofuran-2-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166566167
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
N-(6-naphthalen-2-ylnaphthalen-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176587573
N-[4-[3-naphthalen-2-yl-4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 146582612

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline (CID 135277270) is N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5cc6oc7ccccc7c6cc5-c5ccc6ccccc6c5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
The InChIKey is DAWNKPWOGYKRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-3-11-36(12-4-1)38-19-21-39(22-20-38)40-25-29-45(30-26-40)53(44-15-5-2-6-16-44)46-31-27-41(28-32-46)49-35-52-50(47-17-9-10-18-51(47)54-52)34-48(49)43-24-23-37-13-7-8-14-42(37)33-43/h1-35H.
What are the key properties of N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline?
N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-naphthalen-2-yldibenzofuran-3-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 135277270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).