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

C63H39N7 — CID 58049710

IUPAC2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)n5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C63H39N7/c1-7-20-40(21-8-1)50-38-54(42-24-11-3-12-25-42)65-58-46(50)34-36-48-56(67-62(69-60(48)58)44-28-15-5-16-29-44)52-32-19-33-53(64-52)57-49-37-35-47-51(41-22-9-2-10-23-41)39-55(43-26-13-4-14-27-43)66-59(47)61(49)70-63(68-57)45-30-17-6-18-31-45/h1-39H
InChIKeyZLFDSYAENQEFBS-UHFFFAOYSA-N
MW894.05 g/mol
LogP15.40
Rot. Bonds8

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

2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline (PubChem CID 58049710) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline
PubChem CID58049710
Molecular FormulaC63H39N7
Molecular Weight894.05 g/mol
Exact Mass893.33
IUPAC Name2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)n5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C63H39N7/c1-7-20-40(21-8-1)50-38-54(42-24-11-3-12-25-42)65-58-46(50)34-36-48-56(67-62(69-60(48)58)44-28-15-5-16-29-44)52-32-19-33-53(64-52)57-49-37-35-47-51(41-22-9-2-10-23-41)39-55(43-26-13-4-14-27-43)66-59(47)61(49)70-63(68-57)45-30-17-6-18-31-45/h1-39H
InChIKeyZLFDSYAENQEFBS-UHFFFAOYSA-N
XLogP15.40
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.05
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline?
The IUPAC name of 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline (CID 58049710) is 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline.
What is the SMILES notation for 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline?
The canonical SMILES for 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline is c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)n5)nc(-c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline?
The InChIKey is ZLFDSYAENQEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-7-20-40(21-8-1)50-38-54(42-24-11-3-12-25-42)65-58-46(50)34-36-48-56(67-62(69-60(48)58)44-28-15-5-16-29-44)52-32-19-33-53(64-52)57-49-37-35-47-51(41-22-9-2-10-23-41)39-55(43-26-13-4-14-27-43)66-59(47)61(49)70-63(68-57)45-30-17-6-18-31-45/h1-39H.
What are the key properties of 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline?
2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline has a molecular weight of 894.05 g/mol, XLogP of 15.40, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-triphenyl-4-[6-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]pyrido[3,2-h]quinazoline is sourced from PubChem (CID 58049710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).