N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine

C50H33NO — CID 174256841

IUPACN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)38-14-8-16-44(31-38)51(46-26-27-50-48(33-46)47-18-6-7-19-49(47)52-50)45-17-9-15-39(32-45)41-24-21-36-22-25-42(30-43(36)29-41)40-23-20-35-12-4-5-13-37(35)28-40/h1-33H
InChIKeyLZIDUWKMSPEYBJ-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine

N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine (PubChem CID 174256841) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
PubChem CID174256841
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1
InChIInChI=1S/C50H33NO/c1-2-10-34(11-3-1)38-14-8-16-44(31-38)51(46-26-27-50-48(33-46)47-18-6-7-19-49(47)52-50)45-17-9-15-39(32-45)41-24-21-36-22-25-42(30-43(36)29-41)40-23-20-35-12-4-5-13-37(35)28-40/h1-33H
InChIKeyLZIDUWKMSPEYBJ-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-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
3-dibenzofuran-2-yl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 170535051
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 170030395
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324392
N-(4-dibenzofuran-3-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 167324119
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
N-[4-(9,10-diphenylphenanthren-2-yl)phenyl]-N-(3-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 169061751
N-(4-dibenzofuran-3-ylphenyl)-N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 166565962
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802
3-dibenzofuran-2-yl-N-[4-(2,5-diphenylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535101
N-(3-naphthalen-2-ylnaphthalen-2-yl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 176587466

Frequently Asked Questions

What is the IUPAC name of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine (CID 174256841) is N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4ccc5ccc(-c6ccc7ccccc7c6)cc5c4)c3)c3ccc4oc5ccccc5c4c3)c2)cc1.
What is the InChIKey of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is LZIDUWKMSPEYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-10-34(11-3-1)38-14-8-16-44(31-38)51(46-26-27-50-48(33-46)47-18-6-7-19-49(47)52-50)45-17-9-15-39(32-45)41-24-21-36-22-25-42(30-43(36)29-41)40-23-20-35-12-4-5-13-37(35)28-40/h1-33H.
What are the key properties of N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine?
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-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-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 174256841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).