2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline

C52H35NO — CID 167143735

IUPAC2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)53(50-26-13-12-21-43(50)38-17-6-2-7-18-38)42-33-29-40(30-34-42)44-24-14-25-47-49-35-48(39-19-8-3-9-20-39)45-22-10-11-23-46(45)52(49)54-51(44)47/h1-35H
InChIKeyWGLWDNYNEDKIQI-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline

2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167143735) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167143735
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC Name2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)53(50-26-13-12-21-43(50)38-17-6-2-7-18-38)42-33-29-40(30-34-42)44-24-14-25-47-49-35-48(39-19-8-3-9-20-39)45-22-10-11-23-46(45)52(49)54-51(44)47/h1-35H
InChIKeyWGLWDNYNEDKIQI-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

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Related Compounds

N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
N-phenyl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167144324
N,4-diphenyl-N-[4-[5-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]naphthalen-1-amine
CID 167143851
6-phenyl-N,N,2-tris(4-phenylphenyl)dibenzofuran-4-amine
CID 168771919
N,6-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126851
4-phenyl-N-[4-[3-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121296601
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
CID 167143311
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-4-amine
CID 167277162
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 167143735) is 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4c6ccccc6c(-c6ccccc6)cc54)cc3)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is WGLWDNYNEDKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-15-36(16-5-1)37-27-31-41(32-28-37)53(50-26-13-12-21-43(50)38-17-6-2-7-18-38)42-33-29-40(30-34-42)44-24-14-25-47-49-35-48(39-19-8-3-9-20-39)45-22-10-11-23-46(45)52(49)54-51(44)47/h1-35H.
What are the key properties of 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline?
2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(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 2-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167143735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).