7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline

C42H23ClN4O2 — CID 166502646

IUPAC7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
SMILESClc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccncc3cc12
InChIInChI=1S/C42H23ClN4O2/c43-33-18-17-28(38-32-21-26-23-44-20-19-25(26)22-36(32)49-39(33)38)27-11-4-5-12-29(27)41-45-40(24-9-2-1-3-10-24)46-42(47-41)31-14-8-16-35-37(31)30-13-6-7-15-34(30)48-35/h1-23H
InChIKeyWRKDTJOQKQTPGI-UHFFFAOYSA-N
MW651.13 g/mol
LogP11.54
Rot. Bonds4

About 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline

7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline (PubChem CID 166502646) has the molecular formula C42H23ClN4O2 and a molecular weight of 651.13 g/mol. Its IUPAC name is 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline.

Molecular Properties

Compound Name7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
PubChem CID166502646
Molecular FormulaC42H23ClN4O2
Molecular Weight651.13 g/mol
Exact Mass650.15
IUPAC Name7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline
SMILESClc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccncc3cc12
InChIInChI=1S/C42H23ClN4O2/c43-33-18-17-28(38-32-21-26-23-44-20-19-25(26)22-36(32)49-39(33)38)27-11-4-5-12-29(27)41-45-40(24-9-2-1-3-10-24)46-42(47-41)31-14-8-16-35-37(31)30-13-6-7-15-34(30)48-35/h1-23H
InChIKeyWRKDTJOQKQTPGI-UHFFFAOYSA-N
XLogP11.54
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.13
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline with MolForge

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Related Compounds

7-dibenzofuran-1-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-g]isoquinoline
CID 166502685
6-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502386
6-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502297
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155603342
2-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 146660856
6-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-g]isoquinoline
CID 166502343
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-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
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-8-phenyl-[1]benzofuro[2,3-g]isoquinoline
CID 166502717
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613

Frequently Asked Questions

What is the IUPAC name of 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline?
The IUPAC name of 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline (CID 166502646) is 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline.
What is the SMILES notation for 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline?
The canonical SMILES for 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline is Clc1ccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccccc5c34)n2)c2c1oc1cc3ccncc3cc12.
What is the InChIKey of 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline?
The InChIKey is WRKDTJOQKQTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23ClN4O2/c43-33-18-17-28(38-32-21-26-23-44-20-19-25(26)22-36(32)49-39(33)38)27-11-4-5-12-29(27)41-45-40(24-9-2-1-3-10-24)46-42(47-41)31-14-8-16-35-37(31)30-13-6-7-15-34(30)48-35/h1-23H.
What are the key properties of 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline?
7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline has a molecular weight of 651.13 g/mol, XLogP of 11.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-10-[2-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-g]isoquinoline is sourced from PubChem (CID 166502646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).