4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole

C35H20N6O — CID 164779902

IUPAC4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6cccnc65)nc(-c5cccc6ocnc56)nc4c3n2)cc1
InChIInChI=1S/C35H20N6O/c1-2-8-21(9-3-1)27-18-16-22-15-17-26-32(30(22)38-27)39-33(25-11-6-14-29-31(25)37-20-42-29)40-35(26)41-28-13-5-4-10-23(28)24-12-7-19-36-34(24)41/h1-20H
InChIKeyMQGCBVQRFXEHSM-UHFFFAOYSA-N
MW540.59 g/mol
LogP8.15
Rot. Bonds3

About 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole

4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole (PubChem CID 164779902) has the molecular formula C35H20N6O and a molecular weight of 540.59 g/mol. Its IUPAC name is 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole
PubChem CID164779902
Molecular FormulaC35H20N6O
Molecular Weight540.59 g/mol
Exact Mass540.17
IUPAC Name4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6cccnc65)nc(-c5cccc6ocnc56)nc4c3n2)cc1
InChIInChI=1S/C35H20N6O/c1-2-8-21(9-3-1)27-18-16-22-15-17-26-32(30(22)38-27)39-33(25-11-6-14-29-31(25)37-20-42-29)40-35(26)41-28-13-5-4-10-23(28)24-12-7-19-36-34(24)41/h1-20H
InChIKeyMQGCBVQRFXEHSM-UHFFFAOYSA-N
XLogP8.15
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.59
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole 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

2-(4-carbazol-9-ylphenyl)-9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 164779900
2-phenyl-4-(3-phenylphenyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 156577559
12-[4-(1,10-phenanthrolin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90324556
2-[4-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]-1,10-phenanthroline
CID 118403847
4-(3,5-diphenylphenyl)-2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-phenyl-4-(5-phenyl-2-pyridinyl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline;2-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole;6-(2-phenyl-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-4-yl)-1,3-benzoxazole
CID 165032215
9-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[2,3-b]indole
CID 70836919
2-(4-carbazol-9-ylphenyl)-9-(4-dibenzofuran-4-ylphenyl)-1,10-phenanthroline
CID 90049874
2-phenyl-4-(9-phenylcarbazol-3-yl)-9-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazoline
CID 156577563
platinum;2-[9-(3-pyrido[2,3-b]indol-9-ylbenzene-2-id-1-yl)pyrido[2,3-b]indol-2-yl]phenol
CID 164823577
2-[4-[4-(9-pyridin-2-ylpyrido[2,3-b]indol-6-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118403848
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)pyrido[2,3-b]indole
CID 176750363
9-[2-(2-carbazol-9-yl-6-phenylpyrimidin-4-yl)phenyl]pyrido[2,3-b]indole
CID 176634730

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole?
The IUPAC name of 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole (CID 164779902) is 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole?
The canonical SMILES for 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole is c1ccc(-c2ccc3ccc4c(-n5c6ccccc6c6cccnc65)nc(-c5cccc6ocnc56)nc4c3n2)cc1.
What is the InChIKey of 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole?
The InChIKey is MQGCBVQRFXEHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20N6O/c1-2-8-21(9-3-1)27-18-16-22-15-17-26-32(30(22)38-27)39-33(25-11-6-14-29-31(25)37-20-42-29)40-35(26)41-28-13-5-4-10-23(28)24-12-7-19-36-34(24)41/h1-20H.
What are the key properties of 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole?
4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole has a molecular weight of 540.59 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenyl-4-pyrido[2,3-b]indol-9-ylpyrido[3,2-h]quinazolin-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 164779902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).