12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

C45H27N5S — CID 134169019

IUPAC12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C45H27N5S/c1-3-14-28(15-4-1)43-46-44(34-21-13-25-39-40(34)33-20-9-12-24-38(33)51-39)48-45(47-43)50-35-22-10-7-18-30(35)31-26-27-37-41(42(31)50)32-19-8-11-23-36(32)49(37)29-16-5-2-6-17-29/h1-27H
InChIKeyZNHIRFLYYSLUAP-UHFFFAOYSA-N
MW669.81 g/mol
LogP11.77
Rot. Bonds4

About 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole

12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 134169019) has the molecular formula C45H27N5S and a molecular weight of 669.81 g/mol. Its IUPAC name is 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
PubChem CID134169019
Molecular FormulaC45H27N5S
Molecular Weight669.81 g/mol
Exact Mass669.20
IUPAC Name12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1
InChIInChI=1S/C45H27N5S/c1-3-14-28(15-4-1)43-46-44(34-21-13-25-39-40(34)33-20-9-12-24-38(33)51-39)48-45(47-43)50-35-22-10-7-18-30(35)31-26-27-37-41(42(31)50)32-19-8-11-23-36(32)49(37)29-16-5-2-6-17-29/h1-27H
InChIKeyZNHIRFLYYSLUAP-UHFFFAOYSA-N
XLogP11.77
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.81
LogP ≤ 511.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 118154221
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
26-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-(3-phenylphenyl)-15-thia-10,26-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 118242979
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 129141708
14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-12-phenylindolo[3,2-c]carbazole;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 157198773
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
12-(4-dibenzothiophen-1-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 118888288
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 169014428
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-c]carbazole
CID 88917516

Frequently Asked Questions

What is the IUPAC name of 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (CID 134169019) is 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is c1ccc(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.
What is the InChIKey of 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
The InChIKey is ZNHIRFLYYSLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5S/c1-3-14-28(15-4-1)43-46-44(34-21-13-25-39-40(34)33-20-9-12-24-38(33)51-39)48-45(47-43)50-35-22-10-7-18-30(35)31-26-27-37-41(42(31)50)32-19-8-11-23-36(32)49(37)29-16-5-2-6-17-29/h1-27H.
What are the key properties of 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole?
12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole has a molecular weight of 669.81 g/mol, XLogP of 11.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).