1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole

C30H22N4 — CID 134472400

IUPAC1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole
SMILESCc1cc2ccccc2n1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H22N4/c1-21-20-24-16-8-10-18-26(24)34(21)27-19-11-9-17-25(27)30-32-28(22-12-4-2-5-13-22)31-29(33-30)23-14-6-3-7-15-23/h2-20H,1H3
InChIKeyCZQVEZJSYJQBAA-UHFFFAOYSA-N
MW438.53 g/mol
LogP7.12
Rot. Bonds4

About 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole

1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole (PubChem CID 134472400) has the molecular formula C30H22N4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole.

Molecular Properties

Compound Name1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole
PubChem CID134472400
Molecular FormulaC30H22N4
Molecular Weight438.53 g/mol
Exact Mass438.18
IUPAC Name1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole
SMILESCc1cc2ccccc2n1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C30H22N4/c1-21-20-24-16-8-10-18-26(24)34(21)27-19-11-9-17-25(27)30-32-28(22-12-4-2-5-13-22)31-29(33-30)23-14-6-3-7-15-23/h2-20H,1H3
InChIKeyCZQVEZJSYJQBAA-UHFFFAOYSA-N
XLogP7.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

boranuide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 158893462
17-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,17-diazahexacyclo[16.8.0.02,7.08,16.09,14.020,25]hexacosa-1(26),2,4,6,9,11,13,15,18,20,22,24-dodecaene
CID 153452896
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
9-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,7-diphenylcarbazole
CID 174243956
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 155183579
23-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 139497776
2-(3,5-difluorophenyl)-1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173901
1-[2-[4-phenyl-6-[2-[2-(2-propan-2-ylphenyl)benzimidazol-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(2-propan-2-ylphenyl)benzimidazole
CID 155185803
5-[2-(4-chrysen-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 170109341
5-[2-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621947
7-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-b]carbazole
CID 169037005
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 164936474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole?
The IUPAC name of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole (CID 134472400) is 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole.
What is the SMILES notation for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole?
The canonical SMILES for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole is Cc1cc2ccccc2n1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole?
The InChIKey is CZQVEZJSYJQBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N4/c1-21-20-24-16-8-10-18-26(24)34(21)27-19-11-9-17-25(27)30-32-28(22-12-4-2-5-13-22)31-29(33-30)23-14-6-3-7-15-23/h2-20H,1H3.
What are the key properties of 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole?
1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole has a molecular weight of 438.53 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-methylindole is sourced from PubChem (CID 134472400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).