5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole

C38H23N5S — CID 163640640

IUPAC5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7ncccc76)cc5c4c3)n2)cc1
InChIInChI=1S/C38H23N5S/c1-3-10-24(11-4-1)36-40-37(25-12-5-2-6-13-25)42-38(41-36)26-17-19-33-29(22-26)30-23-27(18-20-34(30)44-33)43-31-15-8-7-14-28(31)35-32(43)16-9-21-39-35/h1-23H
InChIKeyIDYUJLLLDHEJEP-UHFFFAOYSA-N
MW581.70 g/mol
LogP9.73
Rot. Bonds4

About 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole

5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole (PubChem CID 163640640) has the molecular formula C38H23N5S and a molecular weight of 581.70 g/mol. Its IUPAC name is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole.

Molecular Properties

Compound Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
PubChem CID163640640
Molecular FormulaC38H23N5S
Molecular Weight581.70 g/mol
Exact Mass581.17
IUPAC Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7ncccc76)cc5c4c3)n2)cc1
InChIInChI=1S/C38H23N5S/c1-3-10-24(11-4-1)36-40-37(25-12-5-2-6-13-25)42-38(41-36)26-17-19-33-29(22-26)30-23-27(18-20-34(30)44-33)43-31-15-8-7-14-28(31)35-32(43)16-9-21-39-35/h1-23H
InChIKeyIDYUJLLLDHEJEP-UHFFFAOYSA-N
XLogP9.73
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.70
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole with MolForge

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Related Compounds

9-[17-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-yl]carbazole
CID 146664265
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]dibenzothiophen-3-yl]carbazole
CID 169011175
3-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90211472
19-[8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917228
9-[7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole;5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole;9-(4-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 161196480
3-dibenzothiophen-2-yl-9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 90211436
9-[16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,20-dithiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-5-yl]carbazole
CID 162781391
6-carbazol-9-yl-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-[1]benzothiolo[2,3-b]pyridine
CID 146572879
3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole;3-carbazol-9-yl-9-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 159267968
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(9-phenylcarbazol-3-yl)pyrido[3,2-b]indole
CID 118587602
9-(4-dibenzothiophen-2-ylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438044
2-carbazol-9-yl-9-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazole
CID 146179575

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole (CID 163640640) is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole.
What is the SMILES notation for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The canonical SMILES for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-n6c7ccccc7c7ncccc76)cc5c4c3)n2)cc1.
What is the InChIKey of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole?
The InChIKey is IDYUJLLLDHEJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5S/c1-3-10-24(11-4-1)36-40-37(25-12-5-2-6-13-25)42-38(41-36)26-17-19-33-29(22-26)30-23-27(18-20-34(30)44-33)43-31-15-8-7-14-28(31)35-32(43)16-9-21-39-35/h1-23H.
What are the key properties of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole?
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole has a molecular weight of 581.70 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]pyrido[3,2-b]indole is sourced from PubChem (CID 163640640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).