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

C44H28ClNO — CID 171587201

IUPAC3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccccc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C44H28ClNO/c45-34-27-41(44-39-24-31-15-7-8-16-32(31)26-42(39)47-43(44)28-34)46(35-18-5-2-6-19-35)40-23-22-33(25-38(40)30-12-3-1-4-13-30)37-21-11-17-29-14-9-10-20-36(29)37/h1-28H
InChIKeyOVXFQFPTCXPJMH-UHFFFAOYSA-N
MW622.17 g/mol
LogP13.35
Rot. Bonds5

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

3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine (PubChem CID 171587201) has the molecular formula C44H28ClNO and a molecular weight of 622.17 g/mol. Its IUPAC name is 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine.

Molecular Properties

Compound Name3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine
PubChem CID171587201
Molecular FormulaC44H28ClNO
Molecular Weight622.17 g/mol
Exact Mass621.19
IUPAC Name3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine
SMILESClc1cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccccc2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C44H28ClNO/c45-34-27-41(44-39-24-31-15-7-8-16-32(31)26-42(39)47-43(44)28-34)46(35-18-5-2-6-19-35)40-23-22-33(25-38(40)30-12-3-1-4-13-30)37-21-11-17-29-14-9-10-20-36(29)37/h1-28H
InChIKeyOVXFQFPTCXPJMH-UHFFFAOYSA-N
XLogP13.35
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.17
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-amine
CID 166915998
1-N-(4-naphthalen-1-ylphenyl)-1-N,3-N-diphenyl-3-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1,3-diamine
CID 166916411
7-N,17-N-bis(4-methyl-2-phenylphenyl)-7-N,17-N-bis(4-naphthalen-1-ylphenyl)-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 168753265
N-[3-[2-(N-(3-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 167086371
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
3-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 168788673
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
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-naphthalen-1-ylphenyl)-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 168789214
N-(3-naphthalen-1-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168788997
N-(4-naphthalen-1-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168788408

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine?
The IUPAC name of 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine (CID 171587201) is 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine.
What is the SMILES notation for 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine?
The canonical SMILES for 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine is Clc1cc(N(c2ccccc2)c2ccc(-c3cccc4ccccc34)cc2-c2ccccc2)c2c(c1)oc1cc3ccccc3cc12.
What is the InChIKey of 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine?
The InChIKey is OVXFQFPTCXPJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28ClNO/c45-34-27-41(44-39-24-31-15-7-8-16-32(31)26-42(39)47-43(44)28-34)46(35-18-5-2-6-19-35)40-23-22-33(25-38(40)30-12-3-1-4-13-30)37-21-11-17-29-14-9-10-20-36(29)37/h1-28H.
What are the key properties of 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine?
3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine has a molecular weight of 622.17 g/mol, XLogP of 13.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-naphthalen-1-yl-2-phenylphenyl)-N-phenylnaphtho[2,3-b][1]benzofuran-1-amine is sourced from PubChem (CID 171587201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).