2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline

C68H42N8 — CID 58049704

IUPAC2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C68H42N8/c1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h1-42H
InChIKeyQYMVLXVGXMKJLV-UHFFFAOYSA-N
MW971.14 g/mol
LogP16.46
Rot. Bonds9

About 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline

2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline (PubChem CID 58049704) has the molecular formula C68H42N8 and a molecular weight of 971.14 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]pyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
PubChem CID58049704
Molecular FormulaC68H42N8
Molecular Weight971.14 g/mol
Exact Mass970.35
IUPAC Name2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C68H42N8/c1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h1-42H
InChIKeyQYMVLXVGXMKJLV-UHFFFAOYSA-N
XLogP16.46
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500971.14
LogP ≤ 516.46
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]pyrido[3,2-h]quinazoline with MolForge

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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]pyrido[3,2-h]quinazoline?
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]pyrido[3,2-h]quinazoline (CID 58049704) is 2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline.
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]pyrido[3,2-h]quinazoline?
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]pyrido[3,2-h]quinazoline is c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)nc6)cn5)nc(-c5ccccc5)nc4c3n2)cc1.
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]pyrido[3,2-h]quinazoline?
The InChIKey is QYMVLXVGXMKJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N8/c1-7-19-43(20-8-1)55-39-59(45-23-11-3-12-24-45)71-63-51(55)33-35-53-61(73-67(75-65(53)63)47-27-15-5-16-28-47)57-37-31-49(41-69-57)50-32-38-58(70-42-50)62-54-36-34-52-56(44-21-9-2-10-22-44)40-60(46-25-13-4-14-26-46)72-64(52)66(54)76-68(74-62)48-29-17-6-18-30-48/h1-42H.
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]pyrido[3,2-h]quinazoline?
2,7,9-triphenyl-4-[5-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]pyrido[3,2-h]quinazoline has a molecular weight of 971.14 g/mol, XLogP of 16.46, 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]pyrido[3,2-h]quinazoline is sourced from PubChem (CID 58049704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).