5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole

C44H26N6S — CID 176634776

IUPAC5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ncccc32)c(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C44H26N6S/c1-6-19-33-27(13-1)28-14-2-7-20-34(28)50(33)44-47-42(46-43(48-44)32-18-11-25-39-40(32)31-17-5-10-24-38(31)51-39)30-16-4-9-22-36(30)49-35-21-8-3-15-29(35)41-37(49)23-12-26-45-41/h1-26H
InChIKeyIFHVPMUJMPLWMY-UHFFFAOYSA-N
MW670.80 g/mol
LogP11.16
Rot. Bonds4

About 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole

5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 176634776) has the molecular formula C44H26N6S and a molecular weight of 670.80 g/mol. Its IUPAC name is 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
PubChem CID176634776
Molecular FormulaC44H26N6S
Molecular Weight670.80 g/mol
Exact Mass670.19
IUPAC Name5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole
SMILESc1ccc(-n2c3ccccc3c3ncccc32)c(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C44H26N6S/c1-6-19-33-27(13-1)28-14-2-7-20-34(28)50(33)44-47-42(46-43(48-44)32-18-11-25-39-40(32)31-17-5-10-24-38(31)51-39)30-16-4-9-22-36(30)49-35-21-8-3-15-29(35)41-37(49)23-12-26-45-41/h1-26H
InChIKeyIFHVPMUJMPLWMY-UHFFFAOYSA-N
XLogP11.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.80
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
5-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621257
4-[9-[2-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273676
9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050202
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155050277
[3-[4-(2-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722173
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 166916961
9-[2-[9-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]phenyl]carbazole
CID 176607658
5-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
CID 176634513
9-[9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010927
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 166700651
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole (CID 176634776) is 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole is c1ccc(-n2c3ccccc3c3ncccc32)c(-c2nc(-c3cccc4sc5ccccc5c34)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is IFHVPMUJMPLWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N6S/c1-6-19-33-27(13-1)28-14-2-7-20-34(28)50(33)44-47-42(46-43(48-44)32-18-11-25-39-40(32)31-17-5-10-24-38(31)51-39)30-16-4-9-22-36(30)49-35-21-8-3-15-29(35)41-37(49)23-12-26-45-41/h1-26H.
What are the key properties of 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole?
5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 670.80 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 176634776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).