5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole

C40H28N4S — CID 66805014

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccs5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C40H28N4S/c1-40(2)32-17-10-9-16-28(32)29-23-31-30-22-27(36-18-11-21-45-36)19-20-34(30)44(35(31)24-33(29)40)39-42-37(25-12-5-3-6-13-25)41-38(43-39)26-14-7-4-8-15-26/h3-24H,1-2H3
InChIKeyZLJWXCZERUIPFX-UHFFFAOYSA-N
MW596.76 g/mol
LogP10.34
Rot. Bonds4

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole (PubChem CID 66805014) has the molecular formula C40H28N4S and a molecular weight of 596.76 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole
PubChem CID66805014
Molecular FormulaC40H28N4S
Molecular Weight596.76 g/mol
Exact Mass596.20
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5cccs5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21
InChIInChI=1S/C40H28N4S/c1-40(2)32-17-10-9-16-28(32)29-23-31-30-22-27(36-18-11-21-45-36)19-20-34(30)44(35(31)24-33(29)40)39-42-37(25-12-5-3-6-13-25)41-38(43-39)26-14-7-4-8-15-26/h3-24H,1-2H3
InChIKeyZLJWXCZERUIPFX-UHFFFAOYSA-N
XLogP10.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.76
LogP ≤ 510.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-8-yl]-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 66797829
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
5-[3-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014140
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
7,7-dimethyl-5-phenyl-2-[4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 90059506

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole (CID 66805014) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5cccs5)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole?
The InChIKey is ZLJWXCZERUIPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4S/c1-40(2)32-17-10-9-16-28(32)29-23-31-30-22-27(36-18-11-21-45-36)19-20-34(30)44(35(31)24-33(29)40)39-42-37(25-12-5-3-6-13-25)41-38(43-39)26-14-7-4-8-15-26/h3-24H,1-2H3.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole has a molecular weight of 596.76 g/mol, XLogP of 10.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-2-thiophen-2-ylindeno[2,1-b]carbazole is sourced from PubChem (CID 66805014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).