N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C50H33NO — CID 171739651

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H33NO/c1-2-13-36(14-3-1)43-21-8-9-24-46(43)51(47-25-12-26-48-49(47)45-32-29-37-16-5-7-22-44(37)50(45)52-48)40-30-27-34(28-31-40)38-18-10-19-39(33-38)42-23-11-17-35-15-4-6-20-41(35)42/h1-33H
InChIKeyMUKBTSHIAVAMJJ-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739651) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739651
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C50H33NO/c1-2-13-36(14-3-1)43-21-8-9-24-46(43)51(47-25-12-26-48-49(47)45-32-29-37-16-5-7-22-44(37)50(45)52-48)40-30-27-34(28-31-40)38-18-10-19-39(33-38)42-23-11-17-35-15-4-6-20-41(35)42/h1-33H
InChIKeyMUKBTSHIAVAMJJ-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-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167329435
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738577
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739509
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739655
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737921
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-2-phenylaniline
CID 174274045
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737732
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737296

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739651) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc(-c4cccc5ccccc45)c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is MUKBTSHIAVAMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-13-36(14-3-1)43-21-8-9-24-46(43)51(47-25-12-26-48-49(47)45-32-29-37-16-5-7-22-44(37)50(45)52-48)40-30-27-34(28-31-40)38-18-10-19-39(33-38)42-23-11-17-35-15-4-6-20-41(35)42/h1-33H.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine 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 N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).