11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole

C46H32N4 — CID 131973034

IUPAC11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)=CCC1
InChIInChI=1S/C46H32N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-40-28-16-14-26-36(40)38-30-29-37-35-25-13-15-27-39(35)46(41(37)42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1,3-7,9-30H,2,8H2
InChIKeyYDXRAOGCBRCDCD-UHFFFAOYSA-N
MW640.79 g/mol
LogP10.73
Rot. Bonds5

About 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole

11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole (PubChem CID 131973034) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole.

Molecular Properties

Compound Name11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
PubChem CID131973034
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
SMILESC1=CC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)=CCC1
InChIInChI=1S/C46H32N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-40-28-16-14-26-36(40)38-30-29-37-35-25-13-15-27-39(35)46(41(37)42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1,3-7,9-30H,2,8H2
InChIKeyYDXRAOGCBRCDCD-UHFFFAOYSA-N
XLogP10.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 58142117
12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
5-[2-[4-(9,9-diphenylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169037384
12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
CID 126580433
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309
5-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-methyl-7-phenylindeno[2,1-b]carbazole
CID 145377307
11'-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenyl-6-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)phenyl]phenyl]-3,4,5-triphenylphenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 147429152
12-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037543
9-(4-cyclohexa-1,5-dien-1-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-1-[3-(9,9-dimethylfluoren-4-yl)phenyl]carbazole
CID 163996729

Frequently Asked Questions

What is the IUPAC name of 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole?
The IUPAC name of 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole (CID 131973034) is 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole.
What is the SMILES notation for 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole?
The canonical SMILES for 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole is C1=CC(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)=CCC1.
What is the InChIKey of 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole?
The InChIKey is YDXRAOGCBRCDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-40-28-16-14-26-36(40)38-30-29-37-35-25-13-15-27-39(35)46(41(37)42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34/h1,3-7,9-30H,2,8H2.
What are the key properties of 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole?
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole has a molecular weight of 640.79 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole is sourced from PubChem (CID 131973034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).