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

C51H33N5S — CID 174245169

IUPAC9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccccc43)NC(c3cccc4sc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)=N2)cc1
InChIInChI=1S/C51H33N5S/c1-3-15-32(16-4-1)34-29-30-38-37-21-7-10-24-41(37)55(45(38)31-34)44-27-13-22-39-47-40(23-14-28-46(47)57-48(39)44)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-42-25-11-8-19-35(42)36-20-9-12-26-43(36)56/h1-31,51H,(H,52,53,54)
InChIKeyLEEMIFXLFVXCQA-UHFFFAOYSA-N
MW747.93 g/mol
LogP12.88
Rot. Bonds5

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

9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole (PubChem CID 174245169) has the molecular formula C51H33N5S and a molecular weight of 747.93 g/mol. Its IUPAC name is 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole.

Molecular Properties

Compound Name9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
PubChem CID174245169
Molecular FormulaC51H33N5S
Molecular Weight747.93 g/mol
Exact Mass747.25
IUPAC Name9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole
SMILESc1ccc(C2=NC(n3c4ccccc4c4ccccc43)NC(c3cccc4sc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)=N2)cc1
InChIInChI=1S/C51H33N5S/c1-3-15-32(16-4-1)34-29-30-38-37-21-7-10-24-41(37)55(45(38)31-34)44-27-13-22-39-47-40(23-14-28-46(47)57-48(39)44)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-42-25-11-8-19-35(42)36-20-9-12-26-43(36)56/h1-31,51H,(H,52,53,54)
InChIKeyLEEMIFXLFVXCQA-UHFFFAOYSA-N
XLogP12.88
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.93
LogP ≤ 512.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[9-[6-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]dibenzothiophen-4-yl]carbazole
CID 163472498
5-[9-[2-(6-dibenzothiophen-1-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273713
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[7-[6-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-4-yl]carbazole
CID 166962322
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-[4-(6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-8-phenyldibenzothiophen-2-yl]carbazole
CID 162780279
2-[3-(4-bromophenyl)phenyl]-9-dibenzothiophen-4-ylcarbazole
CID 118505931
9-[4-(7-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]carbazole
CID 166961045
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-(4-dibenzothiophen-1-yldibenzothiophen-2-yl)-2-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)carbazole
CID 139555389

Frequently Asked Questions

What is the IUPAC name of 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole?
The IUPAC name of 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole (CID 174245169) is 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole.
What is the SMILES notation for 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole?
The canonical SMILES for 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole is c1ccc(C2=NC(n3c4ccccc4c4ccccc43)NC(c3cccc4sc5c(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)cccc5c34)=N2)cc1.
What is the InChIKey of 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole?
The InChIKey is LEEMIFXLFVXCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N5S/c1-3-15-32(16-4-1)34-29-30-38-37-21-7-10-24-41(37)55(45(38)31-34)44-27-13-22-39-47-40(23-14-28-46(47)57-48(39)44)50-52-49(33-17-5-2-6-18-33)53-51(54-50)56-42-25-11-8-19-35(42)36-20-9-12-26-43(36)56/h1-31,51H,(H,52,53,54).
What are the key properties of 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole?
9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole has a molecular weight of 747.93 g/mol, XLogP of 12.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[9-(2-carbazol-9-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzothiophen-4-yl]-2-phenylcarbazole is sourced from PubChem (CID 174245169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).