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

C68H44N8 — CID 91164569

IUPAC4-[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
SMILESC1=CC(c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)n6)n5)nc(-c5ccccc5)nc4c3n2)=CCC1
InChIInChI=1S/C68H44N8/c1-7-21-43(22-8-1)53-41-59(45-25-11-3-12-26-45)71-63-49(53)37-39-51-61(73-67(75-65(51)63)47-29-15-5-16-30-47)57-35-19-33-55(69-57)56-34-20-36-58(70-56)62-52-40-38-50-54(44-23-9-2-10-24-44)42-60(46-27-13-4-14-28-46)72-64(50)66(52)76-68(74-62)48-31-17-6-18-32-48/h1-3,5-13,15-42H,4,14H2
InChIKeyYITONDJGLLAWQQ-UHFFFAOYSA-N
MW973.16 g/mol
LogP16.53
Rot. Bonds9

About 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

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 (PubChem CID 91164569) has the molecular formula C68H44N8 and a molecular weight of 973.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID91164569
Molecular FormulaC68H44N8
Molecular Weight973.16 g/mol
Exact Mass972.37
IUPAC Name4-[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
SMILESC1=CC(c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)n6)n5)nc(-c5ccccc5)nc4c3n2)=CCC1
InChIInChI=1S/C68H44N8/c1-7-21-43(22-8-1)53-41-59(45-25-11-3-12-26-45)71-63-49(53)37-39-51-61(73-67(75-65(51)63)47-29-15-5-16-30-47)57-35-19-33-55(69-57)56-34-20-36-58(70-56)62-52-40-38-50-54(44-23-9-2-10-24-44)42-60(46-27-13-4-14-28-46)72-64(50)66(52)76-68(74-62)48-31-17-6-18-32-48/h1-3,5-13,15-42H,4,14H2
InChIKeyYITONDJGLLAWQQ-UHFFFAOYSA-N
XLogP16.53
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.16
LogP ≤ 516.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,7,9-triphenyl-4-[3-(2,7,9-triphenylpyrido[3,2-h]quinazolin-4-yl)phenyl]pyrido[3,2-h]quinazoline
CID 58049706
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-tert-butyl-4-[3-[6-cyclohexa-1,5-dien-1-yl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 156556020
2,4,7,9-tetraphenyl-1,10-phenanthroline
CID 15567799
9-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)-2,6-diphenylphenyl]-3,6-diphenylcarbazole
CID 177276905
4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-amine
CID 144834752
4-cyclohexa-1,5-dien-1-yl-2-[4-[6-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]phenyl]-6-phenylpyrimidine
CID 137381315
9-[3-[8-[4-(6-cyclohexa-1,5-dien-1-yl-2-phenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]carbazole
CID 137381788
2-[3-(3-cyclohexa-1,5-dien-1-yl-2,4,5-triphenylphenyl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168932734
9-dibenzofuran-2-yl-2,4,7-triphenylpyrido[3,2-h]quinazoline
CID 123240155
9-[4-[6-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 145283567
2-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-2-yl)phenyl]-9-(4-dibenzothiophen-4-ylphenyl)carbazole
CID 122591922

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(c2cc(-c3ccccc3)c3ccc4c(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc8c7ccc7c(-c9ccccc9)cc(-c9ccccc9)nc78)n6)n5)nc(-c5ccccc5)nc4c3n2)=CCC1.
What is the InChIKey of 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?
The InChIKey is YITONDJGLLAWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N8/c1-7-21-43(22-8-1)53-41-59(45-25-11-3-12-26-45)71-63-49(53)37-39-51-61(73-67(75-65(51)63)47-29-15-5-16-30-47)57-35-19-33-55(69-57)56-34-20-36-58(70-56)62-52-40-38-50-54(44-23-9-2-10-24-44)42-60(46-27-13-4-14-28-46)72-64(50)66(52)76-68(74-62)48-31-17-6-18-32-48/h1-3,5-13,15-42H,4,14H2.
What are the key properties of 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?
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 has a molecular weight of 973.16 g/mol, XLogP of 16.53, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91164569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).