N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine

C48H31NO — CID 176587657

IUPACN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C48H31NO/c1-2-16-39(17-3-1)49(45-19-10-20-46-47(45)42-28-25-33-12-8-9-18-41(33)48(42)50-46)40-26-23-34(24-27-40)43-30-36-14-6-7-15-37(36)31-44(43)38-22-21-32-11-4-5-13-35(32)29-38/h1-31H
InChIKeyJTGHDXREYDXVRU-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine

N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 176587657) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID176587657
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C48H31NO/c1-2-16-39(17-3-1)49(45-19-10-20-46-47(45)42-28-25-33-12-8-9-18-41(33)48(42)50-46)40-26-23-34(24-27-40)43-30-36-14-6-7-15-37(36)31-44(43)38-22-21-32-11-4-5-13-35(32)29-38/h1-31H
InChIKeyJTGHDXREYDXVRU-UHFFFAOYSA-N
XLogP13.85
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.78
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738954
N-(4-naphthalen-2-yl-3-phenylphenyl)-N-(6-phenanthren-9-ylnaphthalen-2-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 169007147
N-(4-chrysen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170140625
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737637
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-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (CID 176587657) is N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2ccc(-c3cc4ccccc4cc3-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is JTGHDXREYDXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-16-39(17-3-1)49(45-19-10-20-46-47(45)42-28-25-33-12-8-9-18-41(33)48(42)50-46)40-26-23-34(24-27-40)43-30-36-14-6-7-15-37(36)31-44(43)38-22-21-32-11-4-5-13-35(32)29-38/h1-31H.
What are the key properties of N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 637.78 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 176587657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).