4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

C63H39N15 — CID 58831202

IUPAC4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2nn3c(c2-c2nc4cccnc4n2-c2ccccc2)n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c2n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C63H39N15/c1-7-22-40(23-8-1)52-49(58-67-46-34-19-37-64-55(46)73(58)43-28-13-4-14-29-43)61-76(70-52)62-50(59-68-47-35-20-38-65-56(47)74(59)44-30-15-5-16-31-44)53(41-24-9-2-10-25-41)72-78(62)63-51(54(71-77(61)63)42-26-11-3-12-27-42)60-69-48-36-21-39-66-57(48)75(60)45-32-17-6-18-33-45/h1-39H
InChIKeyLHCMIHIQDGCZHG-UHFFFAOYSA-N
MW1006.11 g/mol
LogP12.83
Rot. Bonds9

About 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene

4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (PubChem CID 58831202) has the molecular formula C63H39N15 and a molecular weight of 1006.11 g/mol. Its IUPAC name is 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.

Molecular Properties

Compound Name4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
PubChem CID58831202
Molecular FormulaC63H39N15
Molecular Weight1006.11 g/mol
Exact Mass1005.35
IUPAC Name4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene
SMILESc1ccc(-c2nn3c(c2-c2nc4cccnc4n2-c2ccccc2)n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c2n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c32)cc1
InChIInChI=1S/C63H39N15/c1-7-22-40(23-8-1)52-49(58-67-46-34-19-37-64-55(46)73(58)43-28-13-4-14-29-43)61-76(70-52)62-50(59-68-47-35-20-38-65-56(47)74(59)44-30-15-5-16-31-44)53(41-24-9-2-10-25-41)72-78(62)63-51(54(71-77(61)63)42-26-11-3-12-27-42)60-69-48-36-21-39-66-57(48)75(60)45-32-17-6-18-33-45/h1-39H
InChIKeyLHCMIHIQDGCZHG-UHFFFAOYSA-N
XLogP12.83
TPSA144.03 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001006.11
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The IUPAC name of 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene (CID 58831202) is 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene.
What is the SMILES notation for 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The canonical SMILES for 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is c1ccc(-c2nn3c(c2-c2nc4cccnc4n2-c2ccccc2)n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c2n2nc(-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)c32)cc1.
What is the InChIKey of 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
The InChIKey is LHCMIHIQDGCZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N15/c1-7-22-40(23-8-1)52-49(58-67-46-34-19-37-64-55(46)73(58)43-28-13-4-14-29-43)61-76(70-52)62-50(59-68-47-35-20-38-65-56(47)74(59)44-30-15-5-16-31-44)53(41-24-9-2-10-25-41)72-78(62)63-51(54(71-77(61)63)42-26-11-3-12-27-42)60-69-48-36-21-39-66-57(48)75(60)45-32-17-6-18-33-45/h1-39H.
What are the key properties of 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene?
4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene has a molecular weight of 1006.11 g/mol, XLogP of 12.83, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9,14-triphenyl-3,8,13-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaene is sourced from PubChem (CID 58831202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).