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

C46H31NO — CID 174329064

IUPACN,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-16-32(17-5-1)37-24-10-11-25-38(37)34-20-14-23-36(30-34)47(35-21-8-3-9-22-35)43-28-15-29-44-45(43)42-31-41(33-18-6-2-7-19-33)39-26-12-13-27-40(39)46(42)48-44/h1-31H
InChIKeySESIKVAXKQJDKL-UHFFFAOYSA-N
MW613.76 g/mol
LogP13.21
Rot. Bonds6

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

N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 174329064) has the molecular formula C46H31NO and a molecular weight of 613.76 g/mol. Its IUPAC name is N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID174329064
Molecular FormulaC46H31NO
Molecular Weight613.76 g/mol
Exact Mass613.24
IUPAC NameN,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)c2)cc1
InChIInChI=1S/C46H31NO/c1-4-16-32(17-5-1)37-24-10-11-25-38(37)34-20-14-23-36(30-34)47(35-21-8-3-9-22-35)43-28-15-29-44-45(43)42-31-41(33-18-6-2-7-19-33)39-26-12-13-27-40(39)46(42)48-44/h1-31H
InChIKeySESIKVAXKQJDKL-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-phenyl-N,5-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423284
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
5-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423267
5-naphthalen-2-yl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 157311049
N-naphthalen-2-yl-N,5-bis(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine;N-phenyl-5-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 160848679
N-naphthalen-1-yl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423687
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N,7-diphenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423378
7-(2-phenylphenyl)-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155424007
7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423525
N,N,18-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-amine
CID 171050124

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 174329064) is N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccccc2-c2cccc(N(c3ccccc3)c3cccc4oc5c6ccccc6c(-c6ccccc6)cc5c34)c2)cc1.
What is the InChIKey of N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is SESIKVAXKQJDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31NO/c1-4-16-32(17-5-1)37-24-10-11-25-38(37)34-20-14-23-36(30-34)47(35-21-8-3-9-22-35)43-28-15-29-44-45(43)42-31-41(33-18-6-2-7-19-33)39-26-12-13-27-40(39)46(42)48-44/h1-31H.
What are the key properties of N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]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,5-diphenyl-N-[3-(2-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 174329064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).