7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

C37H22N4O — CID 166915499

IUPAC7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C37H22N4O/c1-2-12-24(13-3-1)35-38-36(29-18-10-17-27-26-15-7-9-20-32(26)42-34(27)29)40-37(39-35)41-30-19-8-6-16-28(30)33-25-14-5-4-11-23(25)21-22-31(33)41/h1-22H
InChIKeyZMRVIFLRJGRLLG-UHFFFAOYSA-N
MW538.61 g/mol
LogP9.36
Rot. Bonds3

About 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 166915499) has the molecular formula C37H22N4O and a molecular weight of 538.61 g/mol. Its IUPAC name is 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID166915499
Molecular FormulaC37H22N4O
Molecular Weight538.61 g/mol
Exact Mass538.18
IUPAC Name7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1
InChIInChI=1S/C37H22N4O/c1-2-12-24(13-3-1)35-38-36(29-18-10-17-27-26-15-7-9-20-32(26)42-34(27)29)40-37(39-35)41-30-19-8-6-16-28(30)33-25-14-5-4-11-23(25)21-22-31(33)41/h1-22H
InChIKeyZMRVIFLRJGRLLG-UHFFFAOYSA-N
XLogP9.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 166915499) is 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-n3c4ccccc4c4c5ccccc5ccc43)n2)cc1.
What is the InChIKey of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is ZMRVIFLRJGRLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4O/c1-2-12-24(13-3-1)35-38-36(29-18-10-17-27-26-15-7-9-20-32(26)42-34(27)29)40-37(39-35)41-30-19-8-6-16-28(30)33-25-14-5-4-11-23(25)21-22-31(33)41/h1-22H.
What are the key properties of 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 538.61 g/mol, XLogP of 9.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 166915499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).