3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline

C48H33NO — CID 170402234

IUPAC3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C48H33NO/c1-3-14-36(15-4-1)47-45-23-9-10-24-46(45)50-48(47)41-19-11-17-38(32-41)35-27-29-43(30-28-35)49(42-20-5-2-6-21-42)44-22-12-18-39(33-44)40-26-25-34-13-7-8-16-37(34)31-40/h1-33H
InChIKeyVDNWCCLOPWRMEM-UHFFFAOYSA-N
MW639.80 g/mol
LogP13.72
Rot. Bonds7

About 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline

3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline (PubChem CID 170402234) has the molecular formula C48H33NO and a molecular weight of 639.80 g/mol. Its IUPAC name is 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
PubChem CID170402234
Molecular FormulaC48H33NO
Molecular Weight639.80 g/mol
Exact Mass639.26
IUPAC Name3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
SMILESc1ccc(-c2c(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)c3)oc3ccccc23)cc1
InChIInChI=1S/C48H33NO/c1-3-14-36(15-4-1)47-45-23-9-10-24-46(45)50-48(47)41-19-11-17-38(32-41)35-27-29-43(30-28-35)49(42-20-5-2-6-21-42)44-22-12-18-39(33-44)40-26-25-34-13-7-8-16-37(34)31-40/h1-33H
InChIKeyVDNWCCLOPWRMEM-UHFFFAOYSA-N
XLogP13.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.80
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170399078
N-(4-naphthalen-2-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 170401801
N-naphthalen-2-yl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 170399013
3-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402242
N-(4-phenanthren-2-ylphenyl)-3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]aniline
CID 170526121
3-phenyl-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170400196
N-(4-phenanthren-2-ylphenyl)-N-[4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 170401634
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170401670
4-(3-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline
CID 170402257
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 170526453
N-(4-naphthalen-1-ylphenyl)-N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]naphthalen-2-amine
CID 170400161
N-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]-N-(3-phenylphenyl)phenanthren-2-amine
CID 170400243

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline?
The IUPAC name of 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline (CID 170402234) is 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline.
What is the SMILES notation for 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline?
The canonical SMILES for 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline is c1ccc(-c2c(-c3cccc(-c4ccc(N(c5ccccc5)c5cccc(-c6ccc7ccccc7c6)c5)cc4)c3)oc3ccccc23)cc1.
What is the InChIKey of 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline?
The InChIKey is VDNWCCLOPWRMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33NO/c1-3-14-36(15-4-1)47-45-23-9-10-24-46(45)50-48(47)41-19-11-17-38(32-41)35-27-29-43(30-28-35)49(42-20-5-2-6-21-42)44-22-12-18-39(33-44)40-26-25-34-13-7-8-16-37(34)31-40/h1-33H.
What are the key properties of 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline?
3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline has a molecular weight of 639.80 g/mol, XLogP of 13.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-N-phenyl-N-[4-[3-(3-phenyl-1-benzofuran-2-yl)phenyl]phenyl]aniline is sourced from PubChem (CID 170402234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).