2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole

C116H70N10O3 — CID 163651379

IUPAC2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1
InChIInChI=1S/C41H25N3O.C40H24N4O.C35H21N3O/c1-3-9-29(10-4-1)38-39(43-35-14-8-7-13-34(35)42-38)30-20-15-26(16-21-30)32-22-18-27-17-19-28-23-24-36-40(37(28)33(27)25-32)45-41(44-36)31-11-5-2-6-12-31;1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28;1-3-8-23(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/h1-25H;1-24H;1-21H
InChIKeyIMNYWJHJSXPOAR-UHFFFAOYSA-N
MW1651.90 g/mol
LogP29.96
Rot. Bonds11

About 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 163651379) has the molecular formula C116H70N10O3 and a molecular weight of 1651.90 g/mol. Its IUPAC name is 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
PubChem CID163651379
Molecular FormulaC116H70N10O3
Molecular Weight1651.90 g/mol
Exact Mass1650.56
IUPAC Name2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1
InChIInChI=1S/C41H25N3O.C40H24N4O.C35H21N3O/c1-3-9-29(10-4-1)38-39(43-35-14-8-7-13-34(35)42-38)30-20-15-26(16-21-30)32-22-18-27-17-19-28-23-24-36-40(37(28)33(27)25-32)45-41(44-36)31-11-5-2-6-12-31;1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28;1-3-8-23(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/h1-25H;1-24H;1-21H
InChIKeyIMNYWJHJSXPOAR-UHFFFAOYSA-N
XLogP29.96
TPSA168.32 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001651.90
LogP ≤ 529.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole (CID 163651379) is 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4ccc5cc(-c6cc7ncccc7c(-c7ccccc7)n6)ccc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cc6)cc5c4c3o2)cc1.c1ccc(-c2nc3ccc4ccc5ccc(-c6ccc(-c7nc8ccccc8nc7-c7ccccc7)cn6)cc5c4c3o2)cc1.
What is the InChIKey of 2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is IMNYWJHJSXPOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O.C40H24N4O.C35H21N3O/c1-3-9-29(10-4-1)38-39(43-35-14-8-7-13-34(35)42-38)30-20-15-26(16-21-30)32-22-18-27-17-19-28-23-24-36-40(37(28)33(27)25-32)45-41(44-36)31-11-5-2-6-12-31;1-3-9-27(10-4-1)37-38(43-34-14-8-7-13-33(34)42-37)30-20-21-32(41-24-30)29-18-16-25-15-17-26-19-22-35-39(36(26)31(25)23-29)45-40(44-35)28-11-5-2-6-12-28;1-3-8-23(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/h1-25H;1-24H;1-21H.
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-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(5-phenyl-1,6-naphthyridin-7-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 1651.90 g/mol, XLogP of 29.96, 11 rotatable bonds, 0 hydrogen bond donors, and 13 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;2-phenyl-10-[4-(3-phenylquinoxalin-2-yl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[5-(3-phenylquinoxalin-2-yl)-2-pyridinyl]naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 163651379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).