N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline

C44H29NO — CID 167329404

IUPACN-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-26-23-31(24-27-36)34-22-21-30-11-4-5-13-33(30)29-34)41-19-9-8-17-38(41)39-18-10-20-42-43(39)40-28-25-32-12-6-7-16-37(32)44(40)46-42/h1-29H
InChIKeyLFBQSCKJOSPEAB-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

About N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline

N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline (PubChem CID 167329404) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
PubChem CID167329404
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-26-23-31(24-27-36)34-22-21-30-11-4-5-13-33(30)29-34)41-19-9-8-17-38(41)39-18-10-20-42-43(39)40-28-25-32-12-6-7-16-37(32)44(40)46-42/h1-29H
InChIKeyLFBQSCKJOSPEAB-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-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330277
N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166939334
2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167331209
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330822
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 166938678
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167331075
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347
N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167329791
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 167330258
N-[4-(3-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-9-ylphenyl)aniline
CID 166938685
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline (CID 167329404) is N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
The InChIKey is LFBQSCKJOSPEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-14-35(15-3-1)45(36-26-23-31(24-27-36)34-22-21-30-11-4-5-13-33(30)29-34)41-19-9-8-17-38(41)39-18-10-20-42-43(39)40-28-25-32-12-6-7-16-37(32)44(40)46-42/h1-29H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline?
N-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-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-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline is sourced from PubChem (CID 167329404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).