3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

C50H33NO — CID 170030567

IUPAC3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-9-34(10-3-1)36-19-25-43(26-20-36)51(45-14-8-13-39(33-45)41-18-17-35-11-4-5-12-38(35)31-41)44-27-21-37(22-28-44)40-23-29-46-42(32-40)24-30-49-50(46)47-15-6-7-16-48(47)52-49/h1-33H
InChIKeyHMKFXBSNZIKLEC-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline

3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 170030567) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID170030567
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC Name3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-9-34(10-3-1)36-19-25-43(26-20-36)51(45-14-8-13-39(33-45)41-18-17-35-11-4-5-12-38(35)31-41)44-27-21-37(22-28-44)40-23-29-46-42(32-40)24-30-49-50(46)47-15-6-7-16-48(47)52-49/h1-33H
InChIKeyHMKFXBSNZIKLEC-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030394
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)-3-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 177130873
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-phenyl-N-[3-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-2-amine
CID 170030263
5-naphthalen-2-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 176765183
N-[4-(5-naphthalen-2-ylnaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-N,3-diphenylaniline
CID 176765144
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline (CID 170030567) is 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(ccc6oc7ccccc7c65)c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)cc2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is HMKFXBSNZIKLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-9-34(10-3-1)36-19-25-43(26-20-36)51(45-14-8-13-39(33-45)41-18-17-35-11-4-5-12-38(35)31-41)44-27-21-37(22-28-44)40-23-29-46-42(32-40)24-30-49-50(46)47-15-6-7-16-48(47)52-49/h1-33H.
What are the key properties of 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline?
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170030567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).