N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline

C44H29NO — CID 170030516

IUPACN-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-35(12-3-1)45(37-25-19-32(20-26-37)39-15-8-10-31-9-4-5-13-38(31)39)36-23-17-30(18-24-36)33-21-27-40-34(29-33)22-28-43-44(40)41-14-6-7-16-42(41)46-43/h1-29H
InChIKeyIYDXMGKILKTQFI-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline

N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline (PubChem CID 170030516) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
PubChem CID170030516
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1
InChIInChI=1S/C44H29NO/c1-2-11-35(12-3-1)45(37-25-19-32(20-26-37)39-15-8-10-31-9-4-5-13-38(31)39)36-23-17-30(18-24-36)33-21-27-40-34(29-33)22-28-43-44(40)41-14-6-7-16-42(41)46-43/h1-29H
InChIKeyIYDXMGKILKTQFI-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

N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzofuran-3-amine
CID 170032027
N-[4-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 176810259
N-(4-naphthalen-1-ylphenyl)-N-[3-(7-phenylphenanthren-2-yl)phenyl]dibenzofuran-3-amine
CID 138743305
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 170137599
3-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030567
N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-1-ylphenyl)-3-(4-phenanthren-2-ylphenyl)aniline
CID 176810219
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
6-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)-N-phenylnaphthalen-2-amine
CID 118406083
N-[4-(5-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 139352842
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline (CID 170030516) is N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4c(ccc5oc6ccccc6c54)c3)cc2)c2ccc(-c3cccc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline?
The InChIKey is IYDXMGKILKTQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-11-35(12-3-1)45(37-25-19-32(20-26-37)39-15-8-10-31-9-4-5-13-38(31)39)36-23-17-30(18-24-36)33-21-27-40-34(29-33)22-28-43-44(40)41-14-6-7-16-42(41)46-43/h1-29H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline?
N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-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 N-(4-naphthalen-1-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-3-yl-N-phenylaniline is sourced from PubChem (CID 170030516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).