11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole

C41H26N4O — CID 164782309

IUPAC11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5oc5ccccc56)cc4)c3)n2)cc1
InChIInChI=1S/C41H26N4O/c1-3-12-29(13-4-1)38-42-39(30-14-5-2-6-15-30)44-40(43-38)32-17-11-16-31(26-32)27-22-24-28(25-23-27)37-33-18-7-8-19-34(33)45-35-20-9-10-21-36(35)46-41(37)45/h1-26H
InChIKeyRMPKTEKSNTUHAL-UHFFFAOYSA-N
MW590.69 g/mol
LogP10.36
Rot. Bonds5

About 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole

11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole (PubChem CID 164782309) has the molecular formula C41H26N4O and a molecular weight of 590.69 g/mol. Its IUPAC name is 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
PubChem CID164782309
Molecular FormulaC41H26N4O
Molecular Weight590.69 g/mol
Exact Mass590.21
IUPAC Name11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5oc5ccccc56)cc4)c3)n2)cc1
InChIInChI=1S/C41H26N4O/c1-3-12-29(13-4-1)38-42-39(30-14-5-2-6-15-30)44-40(43-38)32-17-11-16-31(26-32)27-22-24-28(25-23-27)37-33-18-7-8-19-34(33)45-35-20-9-10-21-36(35)46-41(37)45/h1-26H
InChIKeyRMPKTEKSNTUHAL-UHFFFAOYSA-N
XLogP10.36
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.69
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[4-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782486
11-[4-[4-(3-phenylcyclohexa-2,4-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 158093263
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]indolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-2-ylindolo[2,1-b][1,3]benzoxazole;11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-phenylindolo[2,1-b][1,3]benzoxazole;methane
CID 164974708
N-(4-carbazol-9-ylphenyl)-N-phenylindolo[2,1-b][1,3]benzoxazol-11-amine;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylindolo[2,1-b][1,3]benzoxazole;11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylindolo[2,1-b][1,3]benzoxazole
CID 165103492
21-phenyl-17-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 164757229
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylindolo[2,1-b][1,3]benzoxazole
CID 163856374
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
10-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-11-phenylindolo[1,2-a]benzimidazole
CID 164782219
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole (CID 164782309) is 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5c6ccccc6n6c5oc5ccccc56)cc4)c3)n2)cc1.
What is the InChIKey of 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
The InChIKey is RMPKTEKSNTUHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4O/c1-3-12-29(13-4-1)38-42-39(30-14-5-2-6-15-30)44-40(43-38)32-17-11-16-31(26-32)27-22-24-28(25-23-27)37-33-18-7-8-19-34(33)45-35-20-9-10-21-36(35)46-41(37)45/h1-26H.
What are the key properties of 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole?
11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole has a molecular weight of 590.69 g/mol, XLogP of 10.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 164782309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).