4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C55H34N6O — CID 147552251

IUPAC4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)ccc3-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C55H34N6O/c1-5-18-35(19-6-1)40-28-17-30-46-48(40)41-26-13-15-29-44(41)61(46)45-33-32-39(49-51-50(42-27-14-16-31-47(42)62-51)57-52(56-49)36-20-7-2-8-21-36)34-43(45)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-34H
InChIKeyFQZQQTLXAYTKDX-UHFFFAOYSA-N
MW794.92 g/mol
LogP13.66
Rot. Bonds7

About 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 147552251) has the molecular formula C55H34N6O and a molecular weight of 794.92 g/mol. Its IUPAC name is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID147552251
Molecular FormulaC55H34N6O
Molecular Weight794.92 g/mol
Exact Mass794.28
IUPAC Name4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)ccc3-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1
InChIInChI=1S/C55H34N6O/c1-5-18-35(19-6-1)40-28-17-30-46-48(40)41-26-13-15-29-44(41)61(46)45-33-32-39(49-51-50(42-27-14-16-31-47(42)62-51)57-52(56-49)36-20-7-2-8-21-36)34-43(45)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-34H
InChIKeyFQZQQTLXAYTKDX-UHFFFAOYSA-N
XLogP13.66
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.92
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 142592787
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-4-[3-[9-[4-phenyl-6-[6-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)dibenzothiophen-1-yl]-1,3,5-triazin-2-yl]carbazol-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 148679221
9-[2-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 147508065
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399083
9-[4-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenylcarbazole
CID 147194061
4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174250140
2-[2-carbazol-9-yl-5-(2,6-diphenyl-4-pyridinyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162781026
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenylcarbazole
CID 155004722
4-phenyl-2-[2-(14-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-nonaen-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 130333967
2-dibenzofuran-1-yl-9-[4-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]carbazole
CID 156521712
2-[4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 162481731
9-(2-dibenzofuran-3-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438000

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 147552251) is 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)nc5c4oc4ccccc45)ccc3-n3c4ccccc4c4c(-c5ccccc5)cccc43)n2)cc1.
What is the InChIKey of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is FQZQQTLXAYTKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6O/c1-5-18-35(19-6-1)40-28-17-30-46-48(40)41-26-13-15-29-44(41)61(46)45-33-32-39(49-51-50(42-27-14-16-31-47(42)62-51)57-52(56-49)36-20-7-2-8-21-36)34-43(45)55-59-53(37-22-9-3-10-23-37)58-54(60-55)38-24-11-4-12-25-38/h1-34H.
What are the key properties of 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 794.92 g/mol, XLogP of 13.66, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(4-phenylcarbazol-9-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 147552251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).