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

C49H34N8 — CID 166695966

IUPAC11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)C=CC1
InChIInChI=1S/C49H34N8/c1-31-16-15-23-35(30-31)47-51-46(34-21-9-4-10-22-34)54-49(55-47)57-41-27-14-12-25-37(41)39-29-28-38-36-24-11-13-26-40(36)56(42(38)43(39)57)48-52-44(32-17-5-2-6-18-32)50-45(53-48)33-19-7-3-8-20-33/h2-15,17-31H,16H2,1H3
InChIKeyHIPKEHMDIYGBPX-UHFFFAOYSA-N
MW734.87 g/mol
LogP11.23
Rot. Bonds6

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

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 166695966) has the molecular formula C49H34N8 and a molecular weight of 734.87 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID166695966
Molecular FormulaC49H34N8
Molecular Weight734.87 g/mol
Exact Mass734.29
IUPAC Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESCC1C=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)C=CC1
InChIInChI=1S/C49H34N8/c1-31-16-15-23-35(30-31)47-51-46(34-21-9-4-10-22-34)54-49(55-47)57-41-27-14-12-25-37(41)39-29-28-38-36-24-11-13-26-40(36)56(42(38)43(39)57)48-52-44(32-17-5-2-6-18-32)50-45(53-48)33-19-7-3-8-20-33/h2-15,17-31H,16H2,1H3
InChIKeyHIPKEHMDIYGBPX-UHFFFAOYSA-N
XLogP11.23
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.87
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

12-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 130183985
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
CID 131966633
2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;ethane
CID 160718098
6,31-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-3,34-diphenyl-3,6,31,34-tetrazanonacyclo[18.14.0.02,17.04,16.05,13.07,12.021,33.024,32.025,30]tetratriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(33),22,24(32),25,27,29-pentadecaene
CID 88949841
11-cyclohepta-1,3,6-trien-1-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 156569449
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-pyridin-4-ylindolo[2,3-a]carbazole
CID 59413482
24-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16,18,20,22-undecaene
CID 122523984
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 118448619

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 166695966) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is CC1C=C(c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)n2)C=CC1.
What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is HIPKEHMDIYGBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N8/c1-31-16-15-23-35(30-31)47-51-46(34-21-9-4-10-22-34)54-49(55-47)57-41-27-14-12-25-37(41)39-29-28-38-36-24-11-13-26-40(36)56(42(38)43(39)57)48-52-44(32-17-5-2-6-18-32)50-45(53-48)33-19-7-3-8-20-33/h2-15,17-31H,16H2,1H3.
What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 734.87 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 166695966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).