N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine

C44H29NO — CID 170031061

IUPACN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-31(13-3-1)37-15-6-8-19-41(37)45(35-26-21-30-11-4-5-14-33(30)29-35)34-24-22-32(23-25-34)36-17-10-18-39-38(36)27-28-43-44(39)40-16-7-9-20-42(40)46-43/h1-29H
InChIKeyQWXOXFQYNJHYBR-UHFFFAOYSA-N
MW587.72 g/mol
LogP12.70
Rot. Bonds5

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

N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine (PubChem CID 170031061) has the molecular formula C44H29NO and a molecular weight of 587.72 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
PubChem CID170031061
Molecular FormulaC44H29NO
Molecular Weight587.72 g/mol
Exact Mass587.22
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C44H29NO/c1-2-12-31(13-3-1)37-15-6-8-19-41(37)45(35-26-21-30-11-4-5-14-33(30)29-35)34-24-22-32(23-25-34)36-17-10-18-39-38(36)27-28-43-44(39)40-16-7-9-20-42(40)46-43/h1-29H
InChIKeyQWXOXFQYNJHYBR-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-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-6-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126967
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167324675
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-7-phenyl-N-(2-phenylphenyl)naphthalen-2-amine
CID 170126954
N-(4-benzo[g]phenanthren-4-ylphenyl)-N-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 167183177
5-naphtho[2,1-b][1]benzofuran-2-yl-N-(4-phenanthren-9-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine
CID 170127453
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502233
2-naphthalen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 170030274
5-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(3-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-3-amine
CID 176765192
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 167326443
N-dibenzofuran-1-yl-N-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032080
N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 167121398
N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)-N-(2-phenylphenyl)phenanthren-3-amine
CID 170031062

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine (CID 170031061) is N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3ccc3oc5ccccc5c34)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?
The InChIKey is QWXOXFQYNJHYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29NO/c1-2-12-31(13-3-1)37-15-6-8-19-41(37)45(35-26-21-30-11-4-5-14-33(30)29-35)34-24-22-32(23-25-34)36-17-10-18-39-38(36)27-28-43-44(39)40-16-7-9-20-42(40)46-43/h1-29H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine?
N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine 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-naphtho[2,1-b][1]benzofuran-4-ylphenyl)-N-(2-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 170031061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).