4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline

C44H29NO — CID 170031129

IUPAC4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-13-34(14-3-1)45(35-25-20-32(21-26-35)38-17-8-12-30-10-4-6-15-37(30)38)36-27-22-33(23-28-36)40-18-9-19-41-43-39-16-7-5-11-31(39)24-29-42(43)46-44(40)41/h1-29H
InChIKeyXNESCLZKWWVYGW-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline

4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline (PubChem CID 170031129) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
PubChem CID170031129
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC Name4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-13-34(14-3-1)45(35-25-20-32(21-26-35)38-17-8-12-30-10-4-6-15-37(30)38)36-27-22-33(23-28-36)40-18-9-19-41-43-39-16-7-5-11-31(39)24-29-42(43)46-44(40)41/h1-29H
InChIKeyXNESCLZKWWVYGW-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-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170031195
N,N-bis(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290124
N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289750
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
N,N-bis(4-naphthalen-1-ylphenyl)-4-(15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-2-yl)aniline
CID 122599277
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
CID 170033343
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-dibenzofuran-3-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)dibenzofuran-3-amine
CID 170033287
N,8-diphenyl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-2-amine
CID 177130948
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline (CID 170031129) is 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline?
The InChIKey is XNESCLZKWWVYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-13-34(14-3-1)45(35-25-20-32(21-26-35)38-17-8-12-30-10-4-6-15-37(30)38)36-27-22-33(23-28-36)40-18-9-19-41-43-39-16-7-5-11-31(39)24-29-42(43)46-44(40)41/h1-29H.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline?
4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-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-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 170031129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).