11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline

C42H26N4O — CID 138661799

IUPAC11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6nc6oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/C42H26N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)40-44-39(30-13-5-2-6-14-30)45-41(46-40)32-25-21-29(22-26-32)37-33-15-7-9-17-35(33)43-42-38(37)34-16-8-10-18-36(34)47-42/h1-26H
InChIKeyGQDWJIFZWFRRKY-UHFFFAOYSA-N
MW602.70 g/mol
LogP10.65
Rot. Bonds5

About 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline

11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline (PubChem CID 138661799) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
PubChem CID138661799
Molecular FormulaC42H26N4O
Molecular Weight602.70 g/mol
Exact Mass602.21
IUPAC Name11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6nc6oc7ccccc7c56)cc4)n3)cc2)cc1
InChIInChI=1S/C42H26N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)40-44-39(30-13-5-2-6-14-30)45-41(46-40)32-25-21-29(22-26-32)37-33-15-7-9-17-35(33)43-42-38(37)34-16-8-10-18-36(34)47-42/h1-26H
InChIKeyGQDWJIFZWFRRKY-UHFFFAOYSA-N
XLogP10.65
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.70
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline with MolForge

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Related Compounds

11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-b]quinoline
CID 138662527
11-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[2,3-b]quinoline;11-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 159018591
4-methyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130265836
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159679472
11-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;3-[4-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 161233622
2-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246240
14-(4-phenylphenyl)-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155247084
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246212
11-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-b][1,5]naphthyridine;2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-b]quinoxaline
CID 159598510
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(4-phenylphenyl)-4-[3-[3-[4-[2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 161158830
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 155246237

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline (CID 138661799) is 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5c6ccccc6nc6oc7ccccc7c56)cc4)n3)cc2)cc1.
What is the InChIKey of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
The InChIKey is GQDWJIFZWFRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-3-11-27(12-4-1)28-19-23-31(24-20-28)40-44-39(30-13-5-2-6-14-30)45-41(46-40)32-25-21-29(22-26-32)37-33-15-7-9-17-35(33)43-42-38(37)34-16-8-10-18-36(34)47-42/h1-26H.
What are the key properties of 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline?
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline has a molecular weight of 602.70 g/mol, XLogP of 10.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 138661799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).