4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

C40H26ClNO — CID 171587141

IUPAC4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c1oc1cc3ccccc3cc12
InChIInChI=1S/C40H26ClNO/c41-35-23-24-37(39-34-25-30-15-7-8-16-31(30)26-38(34)43-40(35)39)42(32-21-19-28(20-22-32)27-11-3-1-4-12-27)36-18-10-9-17-33(36)29-13-5-2-6-14-29/h1-26H
InChIKeyAJZPSZQCCSEBAW-UHFFFAOYSA-N
MW572.11 g/mol
LogP12.20
Rot. Bonds5

About 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine

4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 171587141) has the molecular formula C40H26ClNO and a molecular weight of 572.11 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
PubChem CID171587141
Molecular FormulaC40H26ClNO
Molecular Weight572.11 g/mol
Exact Mass571.17
IUPAC Name4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c1oc1cc3ccccc3cc12
InChIInChI=1S/C40H26ClNO/c41-35-23-24-37(39-34-25-30-15-7-8-16-31(30)26-38(34)43-40(35)39)42(32-21-19-28(20-22-32)27-11-3-1-4-12-27)36-18-10-9-17-33(36)29-13-5-2-6-14-29/h1-26H
InChIKeyAJZPSZQCCSEBAW-UHFFFAOYSA-N
XLogP12.20
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.11
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-2-yl-N-(4-phenylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069663
7-N,17-N,17-N-tris(2-phenylphenyl)-7-N-(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
CID 168753210
4-chloro-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 166975828
4-phenyl-N-(4-phenylphenyl)-N-[2-[2-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-1-amine
CID 167087184
2-N,3-N-diphenyl-2-N,3-N-bis(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
CID 166856649
N-[4-(2-phenanthren-9-ylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 169007542
1-N,1-N,4-N-triphenyl-4-N-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,4-diamine
CID 166856777
4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069341
4-naphthalen-2-yl-N-(4-phenanthren-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069864
N-naphthalen-1-yl-5-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423840
2-N,3-N,3-N-triphenyl-2-N-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-2,3-diamine
CID 166856527
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine (CID 171587141) is 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is Clc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c2c1oc1cc3ccccc3cc12.
What is the InChIKey of 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is AJZPSZQCCSEBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26ClNO/c41-35-23-24-37(39-34-25-30-15-7-8-16-31(30)26-38(34)43-40(35)39)42(32-21-19-28(20-22-32)27-11-3-1-4-12-27)36-18-10-9-17-33(36)29-13-5-2-6-14-29/h1-26H.
What are the key properties of 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine?
4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 572.11 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 171587141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).