2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile

C70H42N8 — CID 88554056

IUPAC2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1
InChIInChI=1S/C70H42N8/c71-41-58-63(54-35-33-52-56(44-19-7-1-8-20-44)39-61(46-23-11-3-12-24-46)74-66(52)68(54)76-64(58)48-27-15-5-16-28-48)59-37-31-50(42-72-59)51-32-38-60(73-43-51)65-55-36-34-53-57(45-21-9-2-10-22-45)40-62(47-25-13-4-14-26-47)75-67(53)69(55)78-70(77-65)49-29-17-6-18-30-49/h1-40,42-43H
InChIKeyHZVZYIHWSOMUJV-UHFFFAOYSA-N
MW995.16 g/mol
LogP16.94
Rot. Bonds9

About 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile

2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile (PubChem CID 88554056) has the molecular formula C70H42N8 and a molecular weight of 995.16 g/mol. Its IUPAC name is 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile.

Molecular Properties

Compound Name2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
PubChem CID88554056
Molecular FormulaC70H42N8
Molecular Weight995.16 g/mol
Exact Mass994.35
IUPAC Name2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1
InChIInChI=1S/C70H42N8/c71-41-58-63(54-35-33-52-56(44-19-7-1-8-20-44)39-61(46-23-11-3-12-24-46)74-66(52)68(54)76-64(58)48-27-15-5-16-28-48)59-37-31-50(42-72-59)51-32-38-60(73-43-51)65-55-36-34-53-57(45-21-9-2-10-22-45)40-62(47-25-13-4-14-26-47)75-67(53)69(55)78-70(77-65)49-29-17-6-18-30-49/h1-40,42-43H
InChIKeyHZVZYIHWSOMUJV-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-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

5-[5-Phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]pyridine-2-carbonitrile
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US10167270, Example 10
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7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
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7-[2-(4-propylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
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7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(5-methylpyrazin-2-yl)quinolin-4-amine
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6-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
CID 155513851
7-[2-(4-ethylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
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7-[2-(4-propyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
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7-[2-(4-methyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-(3-methylpyrazin-2-yl)quinolin-4-amine
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7-[2-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine
CID 155522090
7-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-N-pyrazin-2-ylquinolin-4-amine;hydrochloride
CID 155526861
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CID 155527094

Frequently Asked Questions

What is the IUPAC name of 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The IUPAC name of 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile (CID 88554056) is 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile.
What is the SMILES notation for 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The canonical SMILES for 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile is N#Cc1c(-c2ccccc2)nc2c(ccc3c(-c4ccccc4)cc(-c4ccccc4)nc32)c1-c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc4c3ccc3c(-c5ccccc5)cc(-c5ccccc5)nc34)nc2)cn1.
What is the InChIKey of 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
The InChIKey is HZVZYIHWSOMUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42N8/c71-41-58-63(54-35-33-52-56(44-19-7-1-8-20-44)39-61(46-23-11-3-12-24-46)74-66(52)68(54)76-64(58)48-27-15-5-16-28-48)59-37-31-50(42-72-59)51-32-38-60(73-43-51)65-55-36-34-53-57(45-21-9-2-10-22-45)40-62(47-25-13-4-14-26-47)75-67(53)69(55)78-70(77-65)49-29-17-6-18-30-49/h1-40,42-43H.
What are the key properties of 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile?
2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-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-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-1,10-phenanthroline-3-carbonitrile is sourced from PubChem (CID 88554056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).