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

C26H17N5 — CID 70836919

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccnc43)n2)cc1
InChIInChI=1S/C26H17N5/c1-3-10-18(11-4-1)23-28-24(19-12-5-2-6-13-19)30-26(29-23)31-22-16-8-7-14-20(22)21-15-9-17-27-25(21)31/h1-17H
InChIKeyUBJJEXVENNAXGV-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.70
Rot. Bonds3

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

9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole (PubChem CID 70836919) has the molecular formula C26H17N5 and a molecular weight of 399.46 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
PubChem CID70836919
Molecular FormulaC26H17N5
Molecular Weight399.46 g/mol
Exact Mass399.15
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccnc43)n2)cc1
InChIInChI=1S/C26H17N5/c1-3-10-18(11-4-1)23-28-24(19-12-5-2-6-13-19)30-26(29-23)31-22-16-8-7-14-20(22)21-15-9-17-27-25(21)31/h1-17H
InChIKeyUBJJEXVENNAXGV-UHFFFAOYSA-N
XLogP5.70
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
CID 176634498
9-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-phenylphenyl]pyrido[2,3-b]indole
CID 170659259
10-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 171748603
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-20-phenyl-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 139524704
14-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,9,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 138640774
18-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,21-diphenyl-9,16,18,21-tetrazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12(17),13,15,19,22,24,26-dodecaene
CID 138640119
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-1,3,8-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one
CID 146638502
14-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 171748567
9-[9-phenyl-7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-2-yl]pyrido[2,3-b]indole
CID 156577699
9-phenylpyrido[2,3-b]indole
CID 15939260
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]pyrido[2,3-b]indole
CID 169276097
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole (CID 70836919) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cccnc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole?
The InChIKey is UBJJEXVENNAXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5/c1-3-10-18(11-4-1)23-28-24(19-12-5-2-6-13-19)30-26(29-23)31-22-16-8-7-14-20(22)21-15-9-17-27-25(21)31/h1-17H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole has a molecular weight of 399.46 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole is sourced from PubChem (CID 70836919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).