10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline

C40H26N4O — CID 163478482

IUPAC10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)c4ccccc34)N=C(c3cccc4oc5cc6cccnc6cc5c34)N2)cc1
InChIInChI=1S/C40H26N4O/c1-3-11-25(12-4-1)28-20-21-31(30-17-8-7-16-29(28)30)39-42-38(26-13-5-2-6-14-26)43-40(44-39)32-18-9-19-35-37(32)33-24-34-27(15-10-22-41-34)23-36(33)45-35/h1-24,39H,(H,42,43,44)
InChIKeyCCMZVQKIHORDEB-UHFFFAOYSA-N
MW578.68 g/mol
LogP9.45
Rot. Bonds4

About 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline

10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline (PubChem CID 163478482) has the molecular formula C40H26N4O and a molecular weight of 578.68 g/mol. Its IUPAC name is 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline.

Molecular Properties

Compound Name10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
PubChem CID163478482
Molecular FormulaC40H26N4O
Molecular Weight578.68 g/mol
Exact Mass578.21
IUPAC Name10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)c4ccccc34)N=C(c3cccc4oc5cc6cccnc6cc5c34)N2)cc1
InChIInChI=1S/C40H26N4O/c1-3-11-25(12-4-1)28-20-21-31(30-17-8-7-16-29(28)30)39-42-38(26-13-5-2-6-14-26)43-40(44-39)32-18-9-19-35-37(32)33-24-34-27(15-10-22-41-34)23-36(33)45-35/h1-24,39H,(H,42,43,44)
InChIKeyCCMZVQKIHORDEB-UHFFFAOYSA-N
XLogP9.45
TPSA62.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.68
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
12-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166800195
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
12-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)naphthalen-1-yl]-17-oxa-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene
CID 166800198
4-naphthalen-1-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170290246
10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]-7-phenyl-[1]benzofuro[2,3-g]quinoline
CID 166800231
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
CID 163605494
2-dibenzofuran-4-yl-6-(4-naphthalen-1-ylphenyl)-4-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170423789
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502591
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216

Frequently Asked Questions

What is the IUPAC name of 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline?
The IUPAC name of 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline (CID 163478482) is 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline.
What is the SMILES notation for 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline?
The canonical SMILES for 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline is c1ccc(C2=NC(c3ccc(-c4ccccc4)c4ccccc34)N=C(c3cccc4oc5cc6cccnc6cc5c34)N2)cc1.
What is the InChIKey of 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline?
The InChIKey is CCMZVQKIHORDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O/c1-3-11-25(12-4-1)28-20-21-31(30-17-8-7-16-29(28)30)39-42-38(26-13-5-2-6-14-26)43-40(44-39)32-18-9-19-35-37(32)33-24-34-27(15-10-22-41-34)23-36(33)45-35/h1-24,39H,(H,42,43,44).
What are the key properties of 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline?
10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline has a molecular weight of 578.68 g/mol, XLogP of 9.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline is sourced from PubChem (CID 163478482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).