5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

C42H30N4 — CID 66797894

IUPAC5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C42H30N4/c1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyRGTWCCOQVAMEIV-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.28
Rot. Bonds4

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 66797894) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
PubChem CID66797894
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21
InChIInChI=1S/C42H30N4/c1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKeyRGTWCCOQVAMEIV-UHFFFAOYSA-N
XLogP10.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.73
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole (CID 66797894) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.
What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
The InChIKey is RGTWCCOQVAMEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3.
What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole?
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 590.73 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 66797894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).