12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole

C57H43N7 — CID 170205880

IUPAC12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole
SMILESC=C1/C=C\C=C/CN(C2=CC(n3c4c(c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c53)C=CCC4)NC=C2)c2ccccc21
InChIInChI=1S/C57H43N7/c1-38-18-5-4-16-35-62(49-28-13-10-25-44(38)49)42-33-34-58-52(37-42)64-51-30-15-12-27-46(51)48-32-31-47-45-26-11-14-29-50(45)63(53(47)54(48)64)43-24-17-23-41(36-43)57-60-55(39-19-6-2-7-20-39)59-56(61-57)40-21-8-3-9-22-40/h2-14,16-29,31-34,36-37,52,58H,1,15,30,35H2/b16-4-,18-5-
InChIKeyHTOMWDGKOMIOTD-FUICOJHQSA-N
MW826.02 g/mol
LogP13.03
Rot. Bonds6

About 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole

12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole (PubChem CID 170205880) has the molecular formula C57H43N7 and a molecular weight of 826.02 g/mol. Its IUPAC name is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole
PubChem CID170205880
Molecular FormulaC57H43N7
Molecular Weight826.02 g/mol
Exact Mass825.36
IUPAC Name12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole
SMILESC=C1/C=C\C=C/CN(C2=CC(n3c4c(c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c53)C=CCC4)NC=C2)c2ccccc21
InChIInChI=1S/C57H43N7/c1-38-18-5-4-16-35-62(49-28-13-10-25-44(38)49)42-33-34-58-52(37-42)64-51-30-15-12-27-46(51)48-32-31-47-45-26-11-14-29-50(45)63(53(47)54(48)64)43-24-17-23-41(36-43)57-60-55(39-19-6-2-7-20-39)59-56(61-57)40-21-8-3-9-22-40/h2-14,16-29,31-34,36-37,52,58H,1,15,30,35H2/b16-4-,18-5-
InChIKeyHTOMWDGKOMIOTD-FUICOJHQSA-N
XLogP13.03
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.02
LogP ≤ 513.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole with MolForge

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Related Compounds

9-[3-[4-[3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 122666790
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164
12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenyl-3,4-dihydroindolo[3,2-c]carbazole
CID 170205976
9-[3-[4-(3-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1,2-dihydrocarbazole
CID 126627650
9-[3-[4-methyl-3-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166750088
1-carbazol-9-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459383
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,9-dihydroindolo[2,3-b]carbazole
CID 170136413
11-[9-(4-cyclohexa-2,4-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-6-dibenzofuran-2-yldibenzofuran-4-yl]-12-phenyl-9,10-dihydroindolo[2,3-a]carbazole
CID 156574749
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 163936410
12-dibenzofuran-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385266

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole?
The IUPAC name of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole (CID 170205880) is 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole.
What is the SMILES notation for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole?
The canonical SMILES for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole is C=C1/C=C\C=C/CN(C2=CC(n3c4c(c5ccc6c7ccccc7n(-c7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c53)C=CCC4)NC=C2)c2ccccc21.
What is the InChIKey of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole?
The InChIKey is HTOMWDGKOMIOTD-FUICOJHQSA-N. The full InChI is InChI=1S/C57H43N7/c1-38-18-5-4-16-35-62(49-28-13-10-25-44(38)49)42-33-34-58-52(37-42)64-51-30-15-12-27-46(51)48-32-31-47-45-26-11-14-29-50(45)63(53(47)54(48)64)43-24-17-23-41(36-43)57-60-55(39-19-6-2-7-20-39)59-56(61-57)40-21-8-3-9-22-40/h2-14,16-29,31-34,36-37,52,58H,1,15,30,35H2/b16-4-,18-5-.
What are the key properties of 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole?
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole has a molecular weight of 826.02 g/mol, XLogP of 13.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-1,2-dihydropyridin-2-yl]-9,10-dihydroindolo[2,3-a]carbazole is sourced from PubChem (CID 170205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).