N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine

C52H35NO — CID 177080749

IUPACN-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-38(16-5-1)45-33-32-44(35-48(45)40-19-8-3-9-20-40)53(43-30-28-37(29-31-43)42-27-26-36-14-10-11-21-41(36)34-42)49-24-12-23-47-51-46(39-17-6-2-7-18-39)22-13-25-50(51)54-52(47)49/h1-35H
InChIKeyTVUIIAOBVMMMBO-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine

N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine (PubChem CID 177080749) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
PubChem CID177080749
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)cc2-c2ccccc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-38(16-5-1)45-33-32-44(35-48(45)40-19-8-3-9-20-40)53(43-30-28-37(29-31-43)42-27-26-36-14-10-11-21-41(36)34-42)49-24-12-23-47-51-46(39-17-6-2-7-18-39)22-13-25-50(51)54-52(47)49/h1-35H
InChIKeyTVUIIAOBVMMMBO-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-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine 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-(4-naphthalen-2-ylphenyl)phenyl]-N-[4-phenyl-3-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 177080790
N-(4-naphthalen-2-ylphenyl)-N-(2-phenylphenyl)-9-(4-phenylphenyl)dibenzofuran-4-amine
CID 166055357
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167330996
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-[4-(3,4-diphenylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167331127
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
N-(3,4-diphenylphenyl)-N-[2-(7-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177080726
N-(4-phenanthren-2-ylphenyl)-9-phenyl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-4-amine
CID 167397088

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine?
The IUPAC name of N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine (CID 177080749) is N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine.
What is the SMILES notation for N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine?
The canonical SMILES for N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc4c3oc3cccc(-c5ccccc5)c34)cc2-c2ccccc2)cc1.
What is the InChIKey of N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine?
The InChIKey is TVUIIAOBVMMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-38(16-5-1)45-33-32-44(35-48(45)40-19-8-3-9-20-40)53(43-30-28-37(29-31-43)42-27-26-36-14-10-11-21-41(36)34-42)49-24-12-23-47-51-46(39-17-6-2-7-18-39)22-13-25-50(51)54-52(47)49/h1-35H.
What are the key properties of N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine?
N-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine 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-(3,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenyldibenzofuran-4-amine is sourced from PubChem (CID 177080749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).