6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine

C64H43NO — CID 170400566

IUPAC6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5cc(-c6cccc(-c7cc8ccccc8o7)c6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-10-44(11-3-1)45-20-22-46(23-21-45)48-30-35-58(36-31-48)65(59-37-32-49(33-38-59)47-24-26-51(27-25-47)62-18-9-14-50-12-4-6-17-61(50)62)60-39-34-54-40-53(28-29-55(54)42-60)52-15-8-16-56(41-52)64-43-57-13-5-7-19-63(57)66-64/h1-43H
InChIKeyPWBYJJHNYDUMNR-UHFFFAOYSA-N
MW842.05 g/mol
LogP18.21
Rot. Bonds9

About 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine

6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine (PubChem CID 170400566) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
PubChem CID170400566
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC Name6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5cc(-c6cccc(-c7cc8ccccc8o7)c6)ccc5c4)cc3)cc2)cc1
InChIInChI=1S/C64H43NO/c1-2-10-44(11-3-1)45-20-22-46(23-21-45)48-30-35-58(36-31-48)65(59-37-32-49(33-38-59)47-24-26-51(27-25-47)62-18-9-14-50-12-4-6-17-61(50)62)60-39-34-54-40-53(28-29-55(54)42-60)52-15-8-16-56(41-52)64-43-57-13-5-7-19-63(57)66-64/h1-43H
InChIKeyPWBYJJHNYDUMNR-UHFFFAOYSA-N
XLogP18.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 518.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine with MolForge

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Related Compounds

4-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170399574
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 170398135
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphthalen-2-amine
CID 170400536
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 170402225
N-[6-[3-(1-benzofuran-2-yl)phenyl]naphthalen-2-yl]-N-(4-phenylphenyl)phenanthren-2-amine
CID 170400610
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-(3-naphthalen-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402227
6-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170400574
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)aniline
CID 170402092
6-[3-(1-benzofuran-2-yl)phenyl]-N-phenyl-N-[2-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170400604
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 170402214
4-[3-(1-benzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-1-amine
CID 170400850
3-(1-benzofuran-2-yl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-phenylaniline
CID 170402040

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The IUPAC name of 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine (CID 170400566) is 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The canonical SMILES for 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)cc4)c4ccc5cc(-c6cccc(-c7cc8ccccc8o7)c6)ccc5c4)cc3)cc2)cc1.
What is the InChIKey of 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
The InChIKey is PWBYJJHNYDUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-2-10-44(11-3-1)45-20-22-46(23-21-45)48-30-35-58(36-31-48)65(59-37-32-49(33-38-59)47-24-26-51(27-25-47)62-18-9-14-50-12-4-6-17-61(50)62)60-39-34-54-40-53(28-29-55(54)42-60)52-15-8-16-56(41-52)64-43-57-13-5-7-19-63(57)66-64/h1-43H.
What are the key properties of 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine?
6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine has a molecular weight of 842.05 g/mol, XLogP of 18.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-benzofuran-2-yl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170400566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).