4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline

C44H29NO — CID 167403025

IUPAC4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-36(13-3-1)45(37-24-19-31(20-25-37)35-18-17-30-9-4-5-10-34(30)29-35)38-26-21-32(22-27-38)39-15-8-11-33-23-28-41-40-14-6-7-16-42(40)46-44(41)43(33)39/h1-29H
InChIKeyWWOPQUQCSNUVDM-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline

4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline (PubChem CID 167403025) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline
PubChem CID167403025
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-36(13-3-1)45(37-24-19-31(20-25-37)35-18-17-30-9-4-5-10-34(30)29-35)38-26-21-32(22-27-38)39-15-8-11-33-23-28-41-40-14-6-7-16-42(40)46-44(41)43(33)39/h1-29H
InChIKeyWWOPQUQCSNUVDM-UHFFFAOYSA-N
XLogP12.70
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.72
LogP ≤ 512.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-dinaphthalen-2-ylphenyl)phenyl]aniline
CID 88950712
3-N-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-yl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 162770461
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(4-naphthalen-2-ylphenyl)aniline
CID 155374297
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
N-(4-dibenzofuran-4-ylphenyl)-4-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374400
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167358323
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]aniline
CID 168805171
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 155374301
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 166566033
N-(4-dibenzofuran-4-ylphenyl)-N,3-bis(3-naphthalen-2-ylphenyl)aniline
CID 155374464
N-(4-naphthalen-2-ylphenyl)-6-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169302116
N-[4-[3,5-di(dibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121383293

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline (CID 167403025) is 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3cccc4ccc5c6ccccc6oc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline?
The InChIKey is WWOPQUQCSNUVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-36(13-3-1)45(37-24-19-31(20-25-37)35-18-17-30-9-4-5-10-34(30)29-35)38-26-21-32(22-27-38)39-15-8-11-33-23-28-41-40-14-6-7-16-42(40)46-44(41)43(33)39/h1-29H.
What are the key properties of 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline?
4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline has a molecular weight of 587.72 g/mol, XLogP of 12.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 167403025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).