4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline

C36H21ClN4O — CID 166502415

IUPAC4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1oc1nc3ccccc3cc12
InChIInChI=1S/C36H21ClN4O/c37-29-20-19-27(31-28-21-26-13-7-8-14-30(26)38-36(28)42-32(29)31)35-40-33(24-11-5-2-6-12-24)39-34(41-35)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H
InChIKeyQZLCBJFHRZKEOU-UHFFFAOYSA-N
MW561.04 g/mol
LogP9.64
Rot. Bonds4

About 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline

4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 166502415) has the molecular formula C36H21ClN4O and a molecular weight of 561.04 g/mol. Its IUPAC name is 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
PubChem CID166502415
Molecular FormulaC36H21ClN4O
Molecular Weight561.04 g/mol
Exact Mass560.14
IUPAC Name4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1oc1nc3ccccc3cc12
InChIInChI=1S/C36H21ClN4O/c37-29-20-19-27(31-28-21-26-13-7-8-14-30(26)38-36(28)42-32(29)31)35-40-33(24-11-5-2-6-12-24)39-34(41-35)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H
InChIKeyQZLCBJFHRZKEOU-UHFFFAOYSA-N
XLogP9.64
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.04
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
CID 166502460
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
9-chloro-6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]quinoline
CID 166502662
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2,4-bis(4-phenylphenyl)-6-[4-(2-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 163672601
1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502742
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502729
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502443
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166739267
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
2-(4-chloro-8-phenylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 155450656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline (CID 166502415) is 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c2c1oc1nc3ccccc3cc12.
What is the InChIKey of 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is QZLCBJFHRZKEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H21ClN4O/c37-29-20-19-27(31-28-21-26-13-7-8-14-30(26)38-36(28)42-32(29)31)35-40-33(24-11-5-2-6-12-24)39-34(41-35)25-17-15-23(16-18-25)22-9-3-1-4-10-22/h1-21H.
What are the key properties of 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline?
4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 561.04 g/mol, XLogP of 9.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 166502415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).