N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C54H35NO — CID 171738954

IUPACN-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)cc4)c23)cc1
InChIInChI=1S/C54H35NO/c1-2-13-37(14-3-1)46-22-9-17-40-18-10-23-47(52(40)46)39-28-31-44(32-29-39)55(45-20-8-19-42(35-45)43-27-26-36-12-4-5-16-41(36)34-43)50-24-11-25-51-53(50)49-33-30-38-15-6-7-21-48(38)54(49)56-51/h1-35H
InChIKeyBBVZQVMOQWMQSQ-UHFFFAOYSA-N
MW713.88 g/mol
LogP15.52
Rot. Bonds6

About N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738954) has the molecular formula C54H35NO and a molecular weight of 713.88 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738954
Molecular FormulaC54H35NO
Molecular Weight713.88 g/mol
Exact Mass713.27
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)cc4)c23)cc1
InChIInChI=1S/C54H35NO/c1-2-13-37(14-3-1)46-22-9-17-40-18-10-23-47(52(40)46)39-28-31-44(32-29-39)55(45-20-8-19-42(35-45)43-27-26-36-12-4-5-16-41(36)34-43)50-24-11-25-51-53(50)49-33-30-38-15-6-7-21-48(38)54(49)56-51/h1-35H
InChIKeyBBVZQVMOQWMQSQ-UHFFFAOYSA-N
XLogP15.52
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 515.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(8-phenylnaphthalen-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738106
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-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738120
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
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-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
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-[4-(3-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 176587657
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738770
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738954) is N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7c8ccccc8ccc7c56)cc4)c23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is BBVZQVMOQWMQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO/c1-2-13-37(14-3-1)46-22-9-17-40-18-10-23-47(52(40)46)39-28-31-44(32-29-39)55(45-20-8-19-42(35-45)43-27-26-36-12-4-5-16-41(36)34-43)50-24-11-25-51-53(50)49-33-30-38-15-6-7-21-48(38)54(49)56-51/h1-35H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 713.88 g/mol, XLogP of 15.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).