6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline

C40H24N4O — CID 163605494

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7ncccc7cc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)32-21-20-30(28-16-7-8-17-29(28)32)31-18-9-19-35-37(31)33-23-27-15-10-22-41-34(27)24-36(33)45-35/h1-24H
InChIKeyHBKASXJZQQLOFK-UHFFFAOYSA-N
MW576.66 g/mol
LogP10.14
Rot. Bonds4

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline (PubChem CID 163605494) has the molecular formula C40H24N4O and a molecular weight of 576.66 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
PubChem CID163605494
Molecular FormulaC40H24N4O
Molecular Weight576.66 g/mol
Exact Mass576.20
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7ncccc7cc6c45)c4ccccc34)n2)cc1
InChIInChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)32-21-20-30(28-16-7-8-17-29(28)32)31-18-9-19-35-37(31)33-23-27-15-10-22-41-34(27)24-36(33)45-35/h1-24H
InChIKeyHBKASXJZQQLOFK-UHFFFAOYSA-N
XLogP10.14
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.66
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline with MolForge

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Related Compounds

6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502716
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
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
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502443
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 167129390
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
6-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline;10-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]quinoline
CID 167568795
9-dibenzothiophen-4-yl-6-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]quinoline
CID 166502732
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8-naphthalen-2-yl-[1]benzofuro[3,2-g]quinoline
CID 166502562
2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 155404550
2-(5-dibenzofuran-1-yl-10-oxapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 169053222

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline (CID 163605494) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5oc6cc7ncccc7cc6c45)c4ccccc34)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline?
The InChIKey is HBKASXJZQQLOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O/c1-3-11-25(12-4-1)38-42-39(26-13-5-2-6-14-26)44-40(43-38)32-21-20-30(28-16-7-8-17-29(28)32)31-18-9-19-35-37(31)33-23-27-15-10-22-41-34(27)24-36(33)45-35/h1-24H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline has a molecular weight of 576.66 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline is sourced from PubChem (CID 163605494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).