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

C64H40N6 — CID 58049706

IUPAC2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)c5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C64H40N6/c1-7-20-41(21-8-1)53-39-55(43-24-11-3-12-25-43)65-59-49(53)34-36-51-57(67-63(69-61(51)59)45-28-15-5-16-29-45)47-32-19-33-48(38-47)58-52-37-35-50-54(42-22-9-2-10-23-42)40-56(44-26-13-4-14-27-44)66-60(50)62(52)70-64(68-58)46-30-17-6-18-31-46/h1-40H
InChIKeyPNKUWEQJEBIUNT-UHFFFAOYSA-N
MW893.07 g/mol
LogP16.01
Rot. Bonds8

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

2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline (PubChem CID 58049706) has the molecular formula C64H40N6 and a molecular weight of 893.07 g/mol. Its IUPAC name is 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
PubChem CID58049706
Molecular FormulaC64H40N6
Molecular Weight893.07 g/mol
Exact Mass892.33
IUPAC Name2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)c5)nc(-c5ccccc5)nc4c3n2)cc1
InChIInChI=1S/C64H40N6/c1-7-20-41(21-8-1)53-39-55(43-24-11-3-12-25-43)65-59-49(53)34-36-51-57(67-63(69-61(51)59)45-28-15-5-16-29-45)47-32-19-33-48(38-47)58-52-37-35-50-54(42-22-9-2-10-23-42)40-56(44-26-13-4-14-27-44)66-60(50)62(52)70-64(68-58)46-30-17-6-18-31-46/h1-40H
InChIKeyPNKUWEQJEBIUNT-UHFFFAOYSA-N
XLogP16.01
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.07
LogP ≤ 516.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,7,9-triphenyl-4-[5-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)thiophen-2-yl]pyrido[3,2-h]quinazoline
CID 58049694
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
CID 123240155
4-[6-[6-(9-cyclohexa-1,5-dien-1-yl-2,7-diphenylpyrido[3,2-h]quinazolin-4-yl)-2-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
CID 91164569
2,9-diphenyl-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 168818398
2,9-bis(4-phenylphenyl)-4,7-bis(4-pyrimidin-2-ylphenyl)-1,10-phenanthroline
CID 68745888
2,4-diphenyl-9-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]benzo[h]quinazoline
CID 155364604
4-phenyl-2-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 165168213
4,7-dinaphthalen-2-yl-2,9-diphenyl-1,10-phenanthroline
CID 70909440
2-methyl-4,7,9-triphenyl-1,10-phenanthroline
CID 58704555
9-[4-(7,9-diphenyl-1,10-phenanthrolin-2-yl)phenyl]-2,4-diphenyl-1,10-phenanthroline
CID 59736484
6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,4-diphenylbenzo[h]quinoline
CID 70958979

Frequently Asked Questions

What is the IUPAC name of 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline?
The IUPAC name of 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline (CID 58049706) is 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline.
What is the SMILES notation for 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline?
The canonical SMILES for 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline is c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6nc(-c7ccccc7)nc7c6ccc6c(-c8ccccc8)cc(-c8ccccc8)nc67)c5)nc(-c5ccccc5)nc4c3n2)cc1.
What is the InChIKey of 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline?
The InChIKey is PNKUWEQJEBIUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N6/c1-7-20-41(21-8-1)53-39-55(43-24-11-3-12-25-43)65-59-49(53)34-36-51-57(67-63(69-61(51)59)45-28-15-5-16-29-45)47-32-19-33-48(38-47)58-52-37-35-50-54(42-22-9-2-10-23-42)40-56(44-26-13-4-14-27-44)66-60(50)62(52)70-64(68-58)46-30-17-6-18-31-46/h1-40H.
What are the key properties of 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline?
2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline has a molecular weight of 893.07 g/mol, XLogP of 16.01, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline is sourced from PubChem (CID 58049706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).