9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole

C51H30N4S2 — CID 170534418

IUPAC9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-2-12-31(13-3-1)32-23-26-44-40(28-32)35-14-4-8-18-42(35)55(44)43-19-9-5-17-39(43)51-53-49(33-24-27-47-41(29-33)37-16-7-11-21-46(37)56-47)52-50(54-51)34-22-25-38-36-15-6-10-20-45(36)57-48(38)30-34/h1-30H
InChIKeyFHWRPYGPDSUIKT-UHFFFAOYSA-N
MW762.96 g/mol
LogP14.37
Rot. Bonds5

About 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole

9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole (PubChem CID 170534418) has the molecular formula C51H30N4S2 and a molecular weight of 762.96 g/mol. Its IUPAC name is 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole.

Molecular Properties

Compound Name9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
PubChem CID170534418
Molecular FormulaC51H30N4S2
Molecular Weight762.96 g/mol
Exact Mass762.19
IUPAC Name9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C51H30N4S2/c1-2-12-31(13-3-1)32-23-26-44-40(28-32)35-14-4-8-18-42(35)55(44)43-19-9-5-17-39(43)51-53-49(33-24-27-47-41(29-33)37-16-7-11-21-46(37)56-47)52-50(54-51)34-22-25-38-36-15-6-10-20-45(36)57-48(38)30-34/h1-30H
InChIKeyFHWRPYGPDSUIKT-UHFFFAOYSA-N
XLogP14.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.96
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621284
9-[4-dibenzothiophen-3-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 155232399
9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylphenyl]carbazole
CID 177287155
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
9-[4-dibenzothiophen-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-diphenylcarbazole
CID 142577032
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(2-phenylphenyl)carbazole
CID 154601901
2-dibenzothiophen-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylcarbazole;2-dibenzothiophen-4-yl-9-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;2-(8-phenyldibenzothiophen-4-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164972347
9-[2-[4-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500355
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
9-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-3-phenylcarbazole
CID 154624627
9-[2-[4-(4-dibenzothiophen-3-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500292

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The IUPAC name of 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole (CID 170534418) is 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole.
What is the SMILES notation for 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The canonical SMILES for 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
The InChIKey is FHWRPYGPDSUIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4S2/c1-2-12-31(13-3-1)32-23-26-44-40(28-32)35-14-4-8-18-42(35)55(44)43-19-9-5-17-39(43)51-53-49(33-24-27-47-41(29-33)37-16-7-11-21-46(37)56-47)52-50(54-51)34-22-25-38-36-15-6-10-20-45(36)57-48(38)30-34/h1-30H.
What are the key properties of 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole?
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole has a molecular weight of 762.96 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole is sourced from PubChem (CID 170534418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).