11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole

C43H26N4S — CID 170412166

IUPAC11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)30-23-24-33-35-19-11-21-37(40(35)48-38(33)26-30)47-36-20-10-9-18-32(36)34-25-22-27-12-7-8-17-31(27)39(34)47/h1-26H
InChIKeyQDOYAMNUATXNNZ-UHFFFAOYSA-N
MW630.78 g/mol
LogP11.49
Rot. Bonds4

About 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole

11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole (PubChem CID 170412166) has the molecular formula C43H26N4S and a molecular weight of 630.78 g/mol. Its IUPAC name is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole.

Molecular Properties

Compound Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
PubChem CID170412166
Molecular FormulaC43H26N4S
Molecular Weight630.78 g/mol
Exact Mass630.19
IUPAC Name11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)n2)cc1
InChIInChI=1S/C43H26N4S/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)30-23-24-33-35-19-11-21-37(40(35)48-38(33)26-30)47-36-20-10-9-18-32(36)34-25-22-27-12-7-8-17-31(27)39(34)47/h1-26H
InChIKeyQDOYAMNUATXNNZ-UHFFFAOYSA-N
XLogP11.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.78
LogP ≤ 511.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-4-yl]carbazole
CID 169010577
11-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[a]carbazole
CID 166915369
12-dibenzothiophen-4-yl-11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 121385380
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-20-thiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-18-yl]carbazole
CID 146664823
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-(2,3,4,5,6-pentadeuteriophenyl)carbazole
CID 165166047
9-[7-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]pyrido[2,3-b]indole
CID 156578047
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[7-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-4-yl]carbazole
CID 169010769
9-phenyl-1-[4-phenyl-6-(6-phenyldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole
CID 146616859
1,3,6,8-tetradeuterio-9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 165166080
9-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]carbazole
CID 166952583
11-[5-[4-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylphenyl]benzo[a]carbazole
CID 172500474

Frequently Asked Questions

What is the IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole?
The IUPAC name of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole (CID 170412166) is 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole.
What is the SMILES notation for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole?
The canonical SMILES for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)sc3c(-n5c6ccccc6c6ccc7ccccc7c65)cccc34)n2)cc1.
What is the InChIKey of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole?
The InChIKey is QDOYAMNUATXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4S/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)30-23-24-33-35-19-11-21-37(40(35)48-38(33)26-30)47-36-20-10-9-18-32(36)34-25-22-27-12-7-8-17-31(27)39(34)47/h1-26H.
What are the key properties of 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole?
11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole has a molecular weight of 630.78 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]benzo[a]carbazole is sourced from PubChem (CID 170412166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).