4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline

C69H46N8 — CID 89055077

IUPAC4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
SMILESCC12N=C(c3ccccc3)N=C(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5ccc5c(-c7ccccc7)cc(-c7ccccc7)nc56)nc4)cn3)C1C=Cc1c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C69H46N8/c1-69-57(37-36-53-56(45-22-10-3-11-23-45)41-61(73-66(53)69)47-26-14-5-15-27-47)65(76-68(77-69)49-30-18-7-19-31-49)59-39-33-51(43-71-59)50-32-38-58(70-42-50)62-54-35-34-52-55(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)72-63(52)64(54)75-67(74-62)48-28-16-6-17-29-48/h2-43,57H,1H3
InChIKeyBFKTWQLLKALXTK-UHFFFAOYSA-N
MW987.18 g/mol
LogP15.84
Rot. Bonds9

About 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline

4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline (PubChem CID 89055077) has the molecular formula C69H46N8 and a molecular weight of 987.18 g/mol. Its IUPAC name is 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline.

Molecular Properties

Compound Name4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
PubChem CID89055077
Molecular FormulaC69H46N8
Molecular Weight987.18 g/mol
Exact Mass986.38
IUPAC Name4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline
SMILESCC12N=C(c3ccccc3)N=C(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5ccc5c(-c7ccccc7)cc(-c7ccccc7)nc56)nc4)cn3)C1C=Cc1c(-c3ccccc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C69H46N8/c1-69-57(37-36-53-56(45-22-10-3-11-23-45)41-61(73-66(53)69)47-26-14-5-15-27-47)65(76-68(77-69)49-30-18-7-19-31-49)59-39-33-51(43-71-59)50-32-38-58(70-42-50)62-54-35-34-52-55(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)72-63(52)64(54)75-67(74-62)48-28-16-6-17-29-48/h2-43,57H,1H3
InChIKeyBFKTWQLLKALXTK-UHFFFAOYSA-N
XLogP15.84
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500987.18
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
6-(9H-acridin-10-ylmethyl)pteridine-2,4-diamine
CID 483225
N-(2-methyl-5-(quinoxalin-2-yl)phenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11154615
(8S)-N-methyl-N-[[1-[[(3S)-1-(3-pyridylmethyl)-3-piperidyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11547495
5-phenyl-N-(pyridin-2-ylmethyl)-2-(pyrimidin-5-yl)quinazolin-4-amine
CID 51030636
2-[3-(2-methyl-3-pyridinyl)phenyl]-N-(pyridin-4-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 58578167
5-phenyl-2-pyridin-3-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204896
5-phenyl-2-pyridin-4-yl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204907
N-(1-adamantyl)-2-pyridin-3-ylquinazolin-4-amine
CID 124168100
US10167270, Example 10
CID 124168411
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145978122

Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline?
The IUPAC name of 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline (CID 89055077) is 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline.
What is the SMILES notation for 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline?
The canonical SMILES for 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline is CC12N=C(c3ccccc3)N=C(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc6c5ccc5c(-c7ccccc7)cc(-c7ccccc7)nc56)nc4)cn3)C1C=Cc1c(-c3ccccc3)cc(-c3ccccc3)nc12.
What is the InChIKey of 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline?
The InChIKey is BFKTWQLLKALXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N8/c1-69-57(37-36-53-56(45-22-10-3-11-23-45)41-61(73-66(53)69)47-26-14-5-15-27-47)65(76-68(77-69)49-30-18-7-19-31-49)59-39-33-51(43-71-59)50-32-38-58(70-42-50)62-54-35-34-52-55(44-20-8-2-9-21-44)40-60(46-24-12-4-13-25-46)72-63(52)64(54)75-67(74-62)48-28-16-6-17-29-48/h2-43,57H,1H3.
What are the key properties of 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline?
4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline has a molecular weight of 987.18 g/mol, XLogP of 15.84, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(10b-methyl-2,7,9-triphenyl-4aH-pyrido[3,2-h]quinazolin-4-yl)-3-pyridinyl]-2-pyridinyl]-2,7,9-triphenylpyrido[3,2-h]quinazoline is sourced from PubChem (CID 89055077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).