N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline

C52H37NO — CID 170294815

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline
SMILESC1=CC2=CC=CC(c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc3)C2C(c2ccccc2)=C1
InChIInChI=1S/C52H37NO/c1-3-16-36(17-4-1)41-22-7-10-29-48(41)53(40-34-32-38(33-35-40)43-26-15-28-47-45-24-9-12-31-50(45)54-52(43)47)49-30-11-8-23-44(49)46-27-14-21-39-20-13-25-42(51(39)46)37-18-5-2-6-19-37/h1-35,46,51H
InChIKeyDGMHWPLJDOYIKW-UHFFFAOYSA-N
MW691.87 g/mol
LogP14.24
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline (PubChem CID 170294815) has the molecular formula C52H37NO and a molecular weight of 691.87 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline
PubChem CID170294815
Molecular FormulaC52H37NO
Molecular Weight691.87 g/mol
Exact Mass691.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline
SMILESC1=CC2=CC=CC(c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc3)C2C(c2ccccc2)=C1
InChIInChI=1S/C52H37NO/c1-3-16-36(17-4-1)41-22-7-10-29-48(41)53(40-34-32-38(33-35-40)43-26-15-28-47-45-24-9-12-31-50(45)54-52(43)47)49-30-11-8-23-44(49)46-27-14-21-39-20-13-25-42(51(39)46)37-18-5-2-6-19-37/h1-35,46,51H
InChIKeyDGMHWPLJDOYIKW-UHFFFAOYSA-N
XLogP14.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.87
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-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-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)aniline
CID 170302328
N-(4-bromophenyl)-N-(4-dibenzofuran-4-ylphenyl)-2-phenylaniline
CID 135165693
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397006
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804121
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine
CID 170300460
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118148534
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline (CID 170294815) is N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline is C1=CC2=CC=CC(c3ccccc3N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3-c3ccccc3)C2C(c2ccccc2)=C1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline?
The InChIKey is DGMHWPLJDOYIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37NO/c1-3-16-36(17-4-1)41-22-7-10-29-48(41)53(40-34-32-38(33-35-40)43-26-15-28-47-45-24-9-12-31-50(45)54-52(43)47)49-30-11-8-23-44(49)46-27-14-21-39-20-13-25-42(51(39)46)37-18-5-2-6-19-37/h1-35,46,51H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline has a molecular weight of 691.87 g/mol, XLogP of 14.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-2-(8-phenyl-1,8a-dihydronaphthalen-1-yl)-N-(2-phenylphenyl)aniline is sourced from PubChem (CID 170294815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).