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

C60H39N7S — CID 146648770

IUPAC4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)=NC(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)N2)cc1
InChIInChI=1S/C60H39N7S/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)65-60(64-55)49-37-41(35-36-43(49)45-29-18-33-51-53(45)47-28-13-15-32-50(47)67(51)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-17-30-46-44-27-14-16-34-52(44)68-54(46)48/h1-37,58H,(H,62,63,66)
InChIKeyLIUCLVRYRMGFCA-UHFFFAOYSA-N
MW890.09 g/mol
LogP14.50
Rot. Bonds8

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

4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (PubChem CID 146648770) has the molecular formula C60H39N7S and a molecular weight of 890.09 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
PubChem CID146648770
Molecular FormulaC60H39N7S
Molecular Weight890.09 g/mol
Exact Mass889.30
IUPAC Name4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(C2=NC(c3cccc4c3sc3ccccc34)=NC(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)N2)cc1
InChIInChI=1S/C60H39N7S/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)65-60(64-55)49-37-41(35-36-43(49)45-29-18-33-51-53(45)47-28-13-15-32-50(47)67(51)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-17-30-46-44-27-14-16-34-52(44)68-54(46)48/h1-37,58H,(H,62,63,66)
InChIKeyLIUCLVRYRMGFCA-UHFFFAOYSA-N
XLogP14.50
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.09
LogP ≤ 514.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole with MolForge

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Related Compounds

4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 147359936
4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 137245379
2-dibenzothiophen-4-yl-4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174275118
2-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzothiophen-2-yl]carbazole
CID 166736754
4-[6-dibenzothiophen-4-yl-2-(4-phenylphenyl)pyrimidin-4-yl]-9-phenylcarbazole
CID 118154231
4-[4-dibenzothiophen-4-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170151798
5-[4-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]benzo[b]carbazole
CID 163929950
4-[4-dibenzothiophen-4-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170927836
5-[1-[4-phenyl-6-(9-phenylcarbazol-4-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]benzo[b]carbazole
CID 155039621
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389
7-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166915327
8-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylphenyl)phenyl]-5-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 147664565

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole (CID 146648770) is 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is c1ccc(C2=NC(c3cccc4c3sc3ccccc34)=NC(c3ccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)N2)cc1.
What is the InChIKey of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
The InChIKey is LIUCLVRYRMGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N7S/c1-5-19-38(20-6-1)55-61-56(39-21-7-2-8-22-39)65-60(64-55)49-37-41(35-36-43(49)45-29-18-33-51-53(45)47-28-13-15-32-50(47)67(51)42-25-11-4-12-26-42)58-62-57(40-23-9-3-10-24-40)63-59(66-58)48-31-17-30-46-44-27-14-16-34-52(44)68-54(46)48/h1-37,58H,(H,62,63,66).
What are the key properties of 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole?
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole has a molecular weight of 890.09 g/mol, XLogP of 14.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 146648770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).