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

C46H26N4O2 — CID 166502591

IUPAC10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(-c2nc(-c3cc4ccccc4cc3-c3cccc4oc5cc6cccnc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)44-48-45(33-18-9-21-40-43(33)32-16-6-7-19-38(32)51-40)50-46(49-44)35-24-29-14-5-4-13-28(29)23-34(35)31-17-8-20-39-42(31)36-26-37-30(15-10-22-47-37)25-41(36)52-39/h1-26H
InChIKeyJLZUVTCBRYRWRW-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

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

10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline (PubChem CID 166502591) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline.

Molecular Properties

Compound Name10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
PubChem CID166502591
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
SMILESc1ccc(-c2nc(-c3cc4ccccc4cc3-c3cccc4oc5cc6cccnc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)44-48-45(33-18-9-21-40-43(33)32-16-6-7-19-38(32)51-40)50-46(49-44)35-24-29-14-5-4-13-28(29)23-34(35)31-17-8-20-39-42(31)36-26-37-30(15-10-22-47-37)25-41(36)52-39/h1-26H
InChIKeyJLZUVTCBRYRWRW-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline
CID 163605494
6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-[1]benzofuro[3,2-g]quinoline
CID 166502770
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
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
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
6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-b]quinoline;6-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]quinoline;12-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-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 167669439
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 168731826
2-[6-(3-dibenzofuran-1-ylnaphthalen-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 164747860
6-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-g]isoquinoline;10-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]isoquinoline;10-[4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 167576165
10-[3-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline;10-[4-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 167554132

Frequently Asked Questions

What is the IUPAC name of 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The IUPAC name of 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) is 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline.
What is the SMILES notation for 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The canonical SMILES for 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline is c1ccc(-c2nc(-c3cc4ccccc4cc3-c3cccc4oc5cc6cccnc6cc5c34)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
The InChIKey is JLZUVTCBRYRWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-11-27(12-3-1)44-48-45(33-18-9-21-40-43(33)32-16-6-7-19-38(32)51-40)50-46(49-44)35-24-29-14-5-4-13-28(29)23-34(35)31-17-8-20-39-42(31)36-26-37-30(15-10-22-47-37)25-41(36)52-39/h1-26H.
What are the key properties of 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline?
10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline has a molecular weight of 666.74 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline is sourced from PubChem (CID 166502591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).