7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole

C42H30N4 — CID 130209444

IUPAC7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21
InChIInChI=1S/C42H30N4/c1-42(2)34-19-11-9-18-33(34)37-35(42)26-25-32-31-17-10-12-20-36(31)46(38(32)37)41-44-39(29-15-7-4-8-16-29)43-40(45-41)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyVKARNUWZOKCGEG-UHFFFAOYSA-N
MW590.73 g/mol
LogP10.28
Rot. Bonds4

About 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole

7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole (PubChem CID 130209444) has the molecular formula C42H30N4 and a molecular weight of 590.73 g/mol. Its IUPAC name is 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole.

Molecular Properties

Compound Name7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
PubChem CID130209444
Molecular FormulaC42H30N4
Molecular Weight590.73 g/mol
Exact Mass590.25
IUPAC Name7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21
InChIInChI=1S/C42H30N4/c1-42(2)34-19-11-9-18-33(34)37-35(42)26-25-32-31-17-10-12-20-36(31)46(38(32)37)41-44-39(29-15-7-4-8-16-29)43-40(45-41)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3
InChIKeyVKARNUWZOKCGEG-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

Analyze 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole with MolForge

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Related Compounds

12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole];ethane
CID 145066280
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
7,7-dimethyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[1,2-a]carbazole;7,7-dimethyl-12-[4-(4-phenylphenyl)quinazolin-2-yl]indeno[1,2-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-3-phenylindeno[1,2-a]carbazole
CID 165042893
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
7,7-dimethyl-12-[4-(4-phenylphenyl)-6,7-dihydroquinazolin-2-yl]indeno[1,2-a]carbazole
CID 67149753
12-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165638
3'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-12'-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenyl-7,7'-spirobi[indeno[1,2-a]carbazole]
CID 118613577

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole?
The IUPAC name of 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole (CID 130209444) is 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole.
What is the SMILES notation for 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole?
The canonical SMILES for 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c21.
What is the InChIKey of 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole?
The InChIKey is VKARNUWZOKCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4/c1-42(2)34-19-11-9-18-33(34)37-35(42)26-25-32-31-17-10-12-20-36(31)46(38(32)37)41-44-39(29-15-7-4-8-16-29)43-40(45-41)30-23-21-28(22-24-30)27-13-5-3-6-14-27/h3-26H,1-2H3.
What are the key properties of 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole?
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]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 7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole is sourced from PubChem (CID 130209444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).