2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile

C70H42N8 — CID 88554032

IUPAC2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)n2)n1
InChIInChI=1S/C70H42N8/c71-43-56-63(52-39-37-50-54(44-21-7-1-8-22-44)41-61(46-25-11-3-12-26-46)74-66(50)68(52)76-64(56)48-29-15-5-16-30-48)59-35-19-33-57(72-59)58-34-20-36-60(73-58)65-53-40-38-51-55(45-23-9-2-10-24-45)42-62(47-27-13-4-14-28-47)75-67(51)69(53)78-70(77-65)49-31-17-6-18-32-49/h1-42H
InChIKeyYTJYNPCSWVYRHW-UHFFFAOYSA-N
MW995.16 g/mol
LogP16.94
Rot. Bonds9

About 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile

2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile (PubChem CID 88554032) has the molecular formula C70H42N8 and a molecular weight of 995.16 g/mol. Its IUPAC name is 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile.

Molecular Properties

Compound Name2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
PubChem CID88554032
Molecular FormulaC70H42N8
Molecular Weight995.16 g/mol
Exact Mass994.35
IUPAC Name2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)n2)n1
InChIInChI=1S/C70H42N8/c71-43-56-63(52-39-37-50-54(44-21-7-1-8-22-44)41-61(46-25-11-3-12-26-46)74-66(50)68(52)76-64(56)48-29-15-5-16-30-48)59-35-19-33-57(72-59)58-34-20-36-60(73-58)65-53-40-38-51-55(45-23-9-2-10-24-45)42-62(47-27-13-4-14-28-47)75-67(51)69(53)78-70(77-65)49-31-17-6-18-32-49/h1-42H
InChIKeyYTJYNPCSWVYRHW-UHFFFAOYSA-N
XLogP16.94
TPSA114.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500995.16
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The IUPAC name of 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile (CID 88554032) is 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile.
What is the SMILES notation for 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The canonical SMILES for 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile is N#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1cccc(-c2cccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)n2)n1.
What is the InChIKey of 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The InChIKey is YTJYNPCSWVYRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N8/c71-43-56-63(52-39-37-50-54(44-21-7-1-8-22-44)41-61(46-25-11-3-12-26-46)74-66(50)68(52)76-64(56)48-29-15-5-16-30-48)59-35-19-33-57(72-59)58-34-20-36-60(73-58)65-53-40-38-51-55(45-23-9-2-10-24-45)42-62(47-27-13-4-14-28-47)75-67(51)69(53)78-70(77-65)49-31-17-6-18-32-49/h1-42H.
What are the key properties of 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile has a molecular weight of 995.16 g/mol, XLogP of 16.94, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-triphenyl-4-[6-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile is sourced from PubChem (CID 88554032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).