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

C50H33NO — CID 174275436

IUPACN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-14-34(15-3-1)35-28-30-37(31-29-35)41-21-8-10-25-46(41)51(47-27-12-19-36-16-6-7-20-40(36)47)48-26-11-9-22-42(48)43-23-13-24-44-45-32-38-17-4-5-18-39(38)33-49(45)52-50(43)44/h1-33H
InChIKeyRCYFYBXVBVRKNC-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine (PubChem CID 174275436) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
PubChem CID174275436
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-14-34(15-3-1)35-28-30-37(31-29-35)41-21-8-10-25-46(41)51(47-27-12-19-36-16-6-7-20-40(36)47)48-26-11-9-22-42(48)43-23-13-24-44-45-32-38-17-4-5-18-39(38)33-49(45)52-50(43)44/h1-33H
InChIKeyRCYFYBXVBVRKNC-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-1-ylphenyl)-2-naphtho[2,3-b][1]benzofuran-4-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 174275617
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 174275519
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 174285036
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3,4-diphenylaniline
CID 174275343
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167325177
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-phenanthren-2-ylphenanthren-2-amine
CID 174275128
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-1-amine
CID 170676822
N-(4-naphthalen-2-ylphenyl)-2-[7-[6-[4-(N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-3-phenylanilino)phenyl]naphthalen-1-yl]naphtho[2,3-b][1]benzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 174275030
N-naphthalen-1-yl-5-naphthalen-2-yl-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423509
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875

Frequently Asked Questions

What is the IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The IUPAC name of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine (CID 174275436) is N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The canonical SMILES for N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine is c1ccc(-c2ccc(-c3ccccc3N(c3ccccc3-c3cccc4c3oc3cc5ccccc5cc34)c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
The InChIKey is RCYFYBXVBVRKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-14-34(15-3-1)35-28-30-37(31-29-35)41-21-8-10-25-46(41)51(47-27-12-19-36-16-6-7-20-40(36)47)48-26-11-9-22-42(48)43-23-13-24-44-45-32-38-17-4-5-18-39(38)33-49(45)52-50(43)44/h1-33H.
What are the key properties of N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine?
N-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(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-(2-naphtho[2,3-b][1]benzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 174275436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).