12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole

C52H35N5S — CID 167193980

IUPAC12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole
SMILESCC1C=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)C1
InChIInChI=1S/C52H35N5S/c1-32-23-27-44-42(29-32)40-26-28-45-48(41-20-8-10-21-43(41)56(45)37-17-6-3-7-18-37)49(40)57(44)52-54-50(35-16-12-15-34(30-35)33-13-4-2-5-14-33)53-51(55-52)36-24-25-39-38-19-9-11-22-46(38)58-47(39)31-36/h2-28,30-32H,29H2,1H3
InChIKeyKNVFTRWCTXVBSO-UHFFFAOYSA-N
MW761.95 g/mol
LogP13.49
Rot. Bonds5

About 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole

12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole (PubChem CID 167193980) has the molecular formula C52H35N5S and a molecular weight of 761.95 g/mol. Its IUPAC name is 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole
PubChem CID167193980
Molecular FormulaC52H35N5S
Molecular Weight761.95 g/mol
Exact Mass761.26
IUPAC Name12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole
SMILESCC1C=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)C1
InChIInChI=1S/C52H35N5S/c1-32-23-27-44-42(29-32)40-26-28-45-48(41-20-8-10-21-43(41)56(45)37-17-6-3-7-18-37)49(40)57(44)52-54-50(35-16-12-15-34(30-35)33-13-4-2-5-14-33)53-51(55-52)36-24-25-39-38-19-9-11-22-46(38)58-47(39)31-36/h2-28,30-32H,29H2,1H3
InChIKeyKNVFTRWCTXVBSO-UHFFFAOYSA-N
XLogP13.49
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.95
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572660
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705083
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 163844254
9-[3-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-methyl-3,4-dihydrocarbazole
CID 166917192
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-3,9-diphenylcarbazole
CID 146572715
4-[4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 165107113
3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159838737
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
9-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 169014738
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058

Frequently Asked Questions

What is the IUPAC name of 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole?
The IUPAC name of 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole (CID 167193980) is 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole?
The canonical SMILES for 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole is CC1C=Cc2c(c3ccc4c(c5ccccc5n4-c4ccccc4)c3n2-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3ccc4c(c3)sc3ccccc34)n2)C1.
What is the InChIKey of 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole?
The InChIKey is KNVFTRWCTXVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5S/c1-32-23-27-44-42(29-32)40-26-28-45-48(41-20-8-10-21-43(41)56(45)37-17-6-3-7-18-37)49(40)57(44)52-54-50(35-16-12-15-34(30-35)33-13-4-2-5-14-33)53-51(55-52)36-24-25-39-38-19-9-11-22-46(38)58-47(39)31-36/h2-28,30-32H,29H2,1H3.
What are the key properties of 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole?
12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole has a molecular weight of 761.95 g/mol, XLogP of 13.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-methyl-5-phenyl-8,9-dihydroindolo[3,2-c]carbazole is sourced from PubChem (CID 167193980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).