N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C46H31NO — CID 171739509

IUPACN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)36-29-37(33-17-6-2-7-18-33)31-38(30-36)47(42-24-13-12-22-39(42)34-19-8-3-9-20-34)43-25-14-26-44-45(43)41-28-27-35-21-10-11-23-40(35)46(41)48-44/h1-31H
InChIKeyPOEONDWIPDNINU-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

About N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739509) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739509
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-15-32(16-5-1)36-29-37(33-17-6-2-7-18-33)31-38(30-36)47(42-24-13-12-22-39(42)34-19-8-3-9-20-34)43-25-14-26-44-45(43)41-28-27-35-21-10-11-23-40(35)46(41)48-44/h1-31H
InChIKeyPOEONDWIPDNINU-UHFFFAOYSA-N
XLogP13.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.76
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739651
N-(3,5-diphenylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738007
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738345
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-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276
N-(3-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739159
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738062
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739655
N-[4-(10-phenylphenanthren-9-yl)phenyl]-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739242
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
N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739509) is N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3)c3cccc4oc5c6ccccc6ccc5c34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is POEONDWIPDNINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-15-32(16-5-1)36-29-37(33-17-6-2-7-18-33)31-38(30-36)47(42-24-13-12-22-39(42)34-19-8-3-9-20-34)43-25-14-26-44-45(43)41-28-27-35-21-10-11-23-40(35)46(41)48-44/h1-31H.
What are the key properties of N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 613.76 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).