5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

C43H27N5 — CID 139396983

IUPAC5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)nc7cccc6n75)cc4)nn3c2)cc1
InChIInChI=1S/C43H27N5/c1-4-11-28(12-5-1)34-26-36(30-13-6-2-7-14-30)43-45-42(46-47(43)27-34)32-21-19-29(20-22-32)33-23-24-35-37(25-33)41-40(31-15-8-3-9-16-31)44-39-18-10-17-38(35)48(39)41/h1-27H
InChIKeyBEGKZRHLLYWNTE-UHFFFAOYSA-N
MW613.72 g/mol
LogP10.46
Rot. Bonds5

About 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 139396983) has the molecular formula C43H27N5 and a molecular weight of 613.72 g/mol. Its IUPAC name is 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

Compound Name5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
PubChem CID139396983
Molecular FormulaC43H27N5
Molecular Weight613.72 g/mol
Exact Mass613.23
IUPAC Name5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
SMILESc1ccc(-c2cc(-c3ccccc3)c3nc(-c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)nc7cccc6n75)cc4)nn3c2)cc1
InChIInChI=1S/C43H27N5/c1-4-11-28(12-5-1)34-26-36(30-13-6-2-7-14-30)43-45-42(46-47(43)27-34)32-21-19-29(20-22-32)33-23-24-35-37(25-33)41-40(31-15-8-3-9-16-31)44-39-18-10-17-38(35)48(39)41/h1-27H
InChIKeyBEGKZRHLLYWNTE-UHFFFAOYSA-N
XLogP10.46
TPSA47.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.72
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene with MolForge

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Related Compounds

9-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396505
5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396449
5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396475
4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396632
5-phenanthren-9-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396472
5-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396959
9-phenyl-5-(4-phenylquinazolin-2-yl)-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396838
2-(4-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 170064697
5-imidazo[1,2-a]pyridin-2-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396804
7-(9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaen-5-yl)triphenylene-2-carbonitrile
CID 139396420
2-[3-[3-(5-methylbenzo[b]phosphindol-2-yl)phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 176638533
2-(3-bromophenyl)-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 171816987

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?
The IUPAC name of 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (CID 139396983) is 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.
What is the SMILES notation for 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?
The canonical SMILES for 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc(-c2cc(-c3ccccc3)c3nc(-c4ccc(-c5ccc6c(c5)c5c(-c7ccccc7)nc7cccc6n75)cc4)nn3c2)cc1.
What is the InChIKey of 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?
The InChIKey is BEGKZRHLLYWNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N5/c1-4-11-28(12-5-1)34-26-36(30-13-6-2-7-14-30)43-45-42(46-47(43)27-34)32-21-19-29(20-22-32)33-23-24-35-37(25-33)41-40(31-15-8-3-9-16-31)44-39-18-10-17-38(35)48(39)41/h1-27H.
What are the key properties of 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?
5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 613.72 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 139396983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).