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

C47H32N4O — CID 158093263

IUPAC11-[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
SMILESC1=CC(c2ccccc2)=CC(c2nc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C47H32N4O/c1-3-13-31(14-4-1)35-17-11-19-37(29-35)45-48-44(49-46(50-45)38-20-12-18-36(30-38)32-15-5-2-6-16-32)34-27-25-33(26-28-34)43-39-21-7-8-22-40(39)51-41-23-9-10-24-42(41)52-47(43)51/h1-19,21-30,38H,20H2
InChIKeyFOJALQCYYCGHHO-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.82
Rot. Bonds6

About 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

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 (PubChem CID 158093263) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name11-[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
PubChem CID158093263
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name11-[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
SMILESC1=CC(c2ccccc2)=CC(c2nc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1
InChIInChI=1S/C47H32N4O/c1-3-13-31(14-4-1)35-17-11-19-37(29-35)45-48-44(49-46(50-45)38-20-12-18-36(30-38)32-15-5-2-6-16-32)34-27-25-33(26-28-34)43-39-21-7-8-22-40(39)51-41-23-9-10-24-42(41)52-47(43)51/h1-19,21-30,38H,20H2
InChIKeyFOJALQCYYCGHHO-UHFFFAOYSA-N
XLogP11.82
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

11-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 164782309
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
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-1,3,5-triazine
CID 174360054
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
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
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
11-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]indolo[2,1-b][1,3]benzoxazole
CID 161208198
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
2-(1-dibenzothiophen-3-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylcyclohexa-2,4-dien-1-yl)-1,3,5-triazine
CID 142615052
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
12-(3-phenylphenyl)-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,3-dihydro-[1]benzofuro[3,2-a]carbazole
CID 174373392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2ccccc2)=CC(c2nc(-c3ccc(-c4c5ccccc5n5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)C1.
What is the InChIKey of 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?
The InChIKey is FOJALQCYYCGHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-3-13-31(14-4-1)35-17-11-19-37(29-35)45-48-44(49-46(50-45)38-20-12-18-36(30-38)32-15-5-2-6-16-32)34-27-25-33(26-28-34)43-39-21-7-8-22-40(39)51-41-23-9-10-24-42(41)52-47(43)51/h1-19,21-30,38H,20H2.
What are the key properties of 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?
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 has a molecular weight of 668.80 g/mol, XLogP of 11.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158093263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).