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

C39H26N4 — CID 154596544

IUPAC3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cn(-c5ccccc5)c5c4ccc4ccccc45)c3)n2)cc1
InChIInChI=1S/C39H26N4/c1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)31-19-12-18-30(25-31)35-26-43(32-20-8-3-9-21-32)36-33-22-11-10-13-27(33)23-24-34(35)36/h1-26H
InChIKeyPFZWCRSYDLSLQN-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.64
Rot. Bonds5

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

3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole (PubChem CID 154596544) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole.

Molecular Properties

Compound Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole
PubChem CID154596544
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cn(-c5ccccc5)c5c4ccc4ccccc45)c3)n2)cc1
InChIInChI=1S/C39H26N4/c1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)31-19-12-18-30(25-31)35-26-43(32-20-8-3-9-21-32)36-33-22-11-10-13-27(33)23-24-34(35)36/h1-26H
InChIKeyPFZWCRSYDLSLQN-UHFFFAOYSA-N
XLogP9.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,5-diphenylindole
CID 154596814
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-18-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223661
1-phenyl-3-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]indole
CID 154596791
1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 139311961
3-[3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]-1-phenylindole
CID 154596557
2-phenanthren-2-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598227
1,8-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]pyrrolo[3,2-g]indole
CID 163901988
2-phenanthren-2-yl-4-[3-(6-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 171598299
2-(3-naphthalen-2-ylphenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 122416272
2-naphthalen-2-yl-4-phenanthren-2-yl-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 174232916
2-[2-(3-chrysen-6-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170248310
11-[3-[2-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[a]carbazole
CID 167031915

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole?
The IUPAC name of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole (CID 154596544) is 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole.
What is the SMILES notation for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole?
The canonical SMILES for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cn(-c5ccccc5)c5c4ccc4ccccc45)c3)n2)cc1.
What is the InChIKey of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole?
The InChIKey is PFZWCRSYDLSLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-4-14-28(15-5-1)37-40-38(29-16-6-2-7-17-29)42-39(41-37)31-19-12-18-30(25-31)35-26-43(32-20-8-3-9-21-32)36-33-22-11-10-13-27(33)23-24-34(35)36/h1-26H.
What are the key properties of 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole?
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole has a molecular weight of 550.67 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylbenzo[g]indole is sourced from PubChem (CID 154596544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).