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

C50H33NO — CID 166939006

IUPACN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)35-23-25-36(26-24-35)37-27-30-41(31-28-37)51(47-21-9-15-38-13-4-6-18-43(38)47)42-17-8-16-40(33-42)44-20-10-22-48-49(44)46-32-29-39-14-5-7-19-45(39)50(46)52-48/h1-33H
InChIKeyXJHIZKRPWQHZIQ-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 166939006) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID166939006
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4cccc5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-11-34(12-3-1)35-23-25-36(26-24-35)37-27-30-41(31-28-37)51(47-21-9-15-38-13-4-6-18-43(38)47)42-17-8-16-40(33-42)44-20-10-22-48-49(44)46-32-29-39-14-5-7-19-45(39)50(46)52-48/h1-33H
InChIKeyXJHIZKRPWQHZIQ-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-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167330924
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)phenanthren-1-amine
CID 166939869
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737622
N-(4-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167330723
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272481
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331276
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenyl-N-(4-phenylphenyl)aniline
CID 167330365

Frequently Asked Questions

What is the IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 166939006) is N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6oc7c8ccccc8ccc7c56)c4)c4cccc5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is XJHIZKRPWQHZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-11-34(12-3-1)35-23-25-36(26-24-35)37-27-30-41(31-28-37)51(47-21-9-15-38-13-4-6-18-43(38)47)42-17-8-16-40(33-42)44-20-10-22-48-49(44)46-32-29-39-14-5-7-19-45(39)50(46)52-48/h1-33H.
What are the key properties of N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine?
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-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-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 166939006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).