2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole

C35H21N3O — CID 163651380

IUPAC2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C35H21N3O/c1-3-8-23(9-4-1)33-28-12-7-19-36-31(28)21-30(37-33)26-15-17-27-25(20-26)14-13-22-16-18-29-34(32(22)27)39-35(38-29)24-10-5-2-6-11-24/h1-21H
InChIKeyKMXQPWGRFPNPGA-UHFFFAOYSA-N
MW499.57 g/mol
LogP9.08
Rot. Bonds3

About 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole (PubChem CID 163651380) has the molecular formula C35H21N3O and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole
PubChem CID163651380
Molecular FormulaC35H21N3O
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1
InChIInChI=1S/C35H21N3O/c1-3-8-23(9-4-1)33-28-12-7-19-36-31(28)21-30(37-33)26-15-17-27-25(20-26)14-13-22-16-18-29-34(32(22)27)39-35(38-29)24-10-5-2-6-11-24/h1-21H
InChIKeyKMXQPWGRFPNPGA-UHFFFAOYSA-N
XLogP9.08
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 59.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline
CID 272358
2-(4-Methylquinolin-6-yl)-1,3-benzoxazole
CID 2421435
5-[Ethyl(methoxy)phosphoryl]-2-isoquinolin-7-yl-1,3-benzoxazole
CID 156019427
4-(1,3-Benzoxazol-2-yl)quinoline
CID 618687
Methyl 4-[5-[(6,7-dimethoxyisoquinolin-4-yl)methyl]-1,3-benzoxazol-2-yl]benzoate
CID 74538931
5-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]-2-phenyl-1,3-benzoxazole
CID 74538932
4-[5-[(6,7-Dimethoxyisoquinolin-4-yl)methyl]-1,3-benzoxazol-2-yl]benzonitrile
CID 90131149
3-[2-(Dimethylamino)ethyl]-12-(4-methylphenyl)-11-oxa-3,13-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),5,7,9(16),10(14),12-hexaene-2,4-dione
CID 71653874
6-[Ethyl(methoxy)phosphoryl]-2-isoquinolin-7-yl-1,3-benzoxazole
CID 156011030
5-[Ethyl(methoxy)phosphoryl]-2-isoquinolin-6-yl-1,3-benzoxazole
CID 156015890
6-[Ethyl(methoxy)phosphoryl]-2-isoquinolin-6-yl-1,3-benzoxazole
CID 156019900
Phenanthro[9,10-d]oxazole, 2-phenyl-
CID 626439

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole (CID 163651380) is 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1.
What is the InChIKey of 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is KMXQPWGRFPNPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21N3O/c1-3-8-23(9-4-1)33-28-12-7-19-36-31(28)21-30(37-33)26-15-17-27-25(20-26)14-13-22-16-18-29-34(32(22)27)39-35(38-29)24-10-5-2-6-11-24/h1-21H.
What are the key properties of 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 499.57 g/mol, XLogP of 9.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 163651380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).