N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C52H35NO — CID 170399835

IUPACN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C52H35NO/c1-4-16-45-38(11-1)14-9-20-46(45)41-29-33-44(34-30-41)53(50-21-10-15-39-12-2-5-18-48(39)50)43-31-27-37(28-32-43)36-23-25-40(26-24-36)47-17-6-7-19-49(47)52-35-42-13-3-8-22-51(42)54-52/h1-35H
InChIKeyHKYBHGBUVGZWBQ-UHFFFAOYSA-N
MW689.86 g/mol
LogP14.88
Rot. Bonds7

About N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 170399835) has the molecular formula C52H35NO and a molecular weight of 689.86 g/mol. Its IUPAC name is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID170399835
Molecular FormulaC52H35NO
Molecular Weight689.86 g/mol
Exact Mass689.27
IUPAC NameN-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C52H35NO/c1-4-16-45-38(11-1)14-9-20-46(45)41-29-33-44(34-30-41)53(50-21-10-15-39-12-2-5-18-48(39)50)43-31-27-37(28-32-43)36-23-25-40(26-24-36)47-17-6-7-19-49(47)52-35-42-13-3-8-22-51(42)54-52/h1-35H
InChIKeyHKYBHGBUVGZWBQ-UHFFFAOYSA-N
XLogP14.88
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.86
LogP ≤ 514.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 170398475
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 170399873
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 170398919
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526096
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398836
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)naphthalen-1-amine
CID 170399727
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)naphthalen-1-amine
CID 170399846
N-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]phenanthren-9-amine
CID 170398479
2-(1-benzofuran-2-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenylphenyl)aniline
CID 170398958
N-[2-(1-benzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 170526378
N-[4-[3-(1-benzofuran-2-yl)-4-phenylphenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170400127
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 170399851

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 170399835) is N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is c1ccc(-c2cc3ccccc3o2)c(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc5ccccc45)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is HKYBHGBUVGZWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35NO/c1-4-16-45-38(11-1)14-9-20-46(45)41-29-33-44(34-30-41)53(50-21-10-15-39-12-2-5-18-48(39)50)43-31-27-37(28-32-43)36-23-25-40(26-24-36)47-17-6-7-19-49(47)52-35-42-13-3-8-22-51(42)54-52/h1-35H.
What are the key properties of N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 689.86 g/mol, XLogP of 14.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[2-(1-benzofuran-2-yl)phenyl]phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 170399835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).