N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

C48H31NO — CID 171737637

IUPACN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C48H31NO/c1-2-13-36-30-37(23-22-32(36)10-1)33-24-27-39(28-25-33)49(40-16-7-15-38(31-40)42-19-8-14-34-11-3-5-17-41(34)42)45-20-9-21-46-47(45)44-29-26-35-12-4-6-18-43(35)48(44)50-46/h1-31H
InChIKeyYSMRHCUUZVTLEM-UHFFFAOYSA-N
MW637.78 g/mol
LogP13.85
Rot. Bonds5

About N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171737637) has the molecular formula C48H31NO and a molecular weight of 637.78 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171737637
Molecular FormulaC48H31NO
Molecular Weight637.78 g/mol
Exact Mass637.24
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C48H31NO/c1-2-13-36-30-37(23-22-32(36)10-1)33-24-27-39(28-25-33)49(40-16-7-15-38(31-40)42-19-8-14-34-11-3-5-17-41(34)42)45-20-9-21-46-47(45)44-29-26-35-12-4-6-18-43(35)48(44)50-46/h1-31H
InChIKeyYSMRHCUUZVTLEM-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-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738046
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-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738954
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
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-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171737637) is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1cc(-c2cccc3ccccc23)cc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is YSMRHCUUZVTLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO/c1-2-13-36-30-37(23-22-32(36)10-1)33-24-27-39(28-25-33)49(40-16-7-15-38(31-40)42-19-8-14-34-11-3-5-17-41(34)42)45-20-9-21-46-47(45)44-29-26-35-12-4-6-18-43(35)48(44)50-46/h1-31H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[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-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171737637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).