2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole

C135H83N3O3 — CID 164955263

IUPAC2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1
InChIInChI=1S/2C47H29NO.C41H25NO/c1-3-12-30(13-4-1)34-16-11-17-35(28-34)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)36-25-23-31-22-24-32-26-27-42-46(45(32)41(31)29-36)49-47(48-42)33-14-5-2-6-15-33;1-3-11-30(12-4-1)31-19-23-33(24-20-31)43-37-15-7-9-17-39(37)44(40-18-10-8-16-38(40)43)36-26-22-32-21-25-34-27-28-42-46(45(34)41(32)29-36)49-47(48-42)35-13-5-2-6-14-35;1-3-11-26(12-4-1)37-32-15-7-9-17-34(32)38(35-18-10-8-16-33(35)37)30-21-23-31-29(25-30)20-19-27-22-24-36-40(39(27)31)43-41(42-36)28-13-5-2-6-14-28/h2*1-29H;1-25H
InChIKeyBBVUFIFSKZZLFY-UHFFFAOYSA-N
MW1795.17 g/mol
LogP37.66
Rot. Bonds11

About 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole (PubChem CID 164955263) has the molecular formula C135H83N3O3 and a molecular weight of 1795.17 g/mol. Its IUPAC name is 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
PubChem CID164955263
Molecular FormulaC135H83N3O3
Molecular Weight1795.17 g/mol
Exact Mass1793.64
IUPAC Name2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1
InChIInChI=1S/2C47H29NO.C41H25NO/c1-3-12-30(13-4-1)34-16-11-17-35(28-34)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)36-25-23-31-22-24-32-26-27-42-46(45(32)41(31)29-36)49-47(48-42)33-14-5-2-6-15-33;1-3-11-30(12-4-1)31-19-23-33(24-20-31)43-37-15-7-9-17-39(37)44(40-18-10-8-16-38(40)43)36-26-22-32-21-25-34-27-28-42-46(45(34)41(32)29-36)49-47(48-42)35-13-5-2-6-14-35;1-3-11-26(12-4-1)37-32-15-7-9-17-34(32)38(35-18-10-8-16-33(35)37)30-21-23-31-29(25-30)20-19-27-22-24-36-40(39(27)31)43-41(42-36)28-13-5-2-6-14-28/h2*1-29H;1-25H
InChIKeyBBVUFIFSKZZLFY-UHFFFAOYSA-N
XLogP37.66
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001795.17
LogP ≤ 537.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole with MolForge

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Related Compounds

2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
9-[10-(4-tert-butylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 166831987
2-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840376
10-(3-benzo[c]phenanthren-5-ylphenyl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 146330210
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
2-phenyl-9-[10-(2-phenylquinolin-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840399
2-phenyl-10-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164747987
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole (CID 164955263) is 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccc6ccc7nc(-c8ccccc8)oc7c6c5c4)c4ccccc34)c2)cc1.c1ccc(-c2nc3ccc4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4c3o2)cc1.
What is the InChIKey of 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
The InChIKey is BBVUFIFSKZZLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29NO.C41H25NO/c1-3-12-30(13-4-1)34-16-11-17-35(28-34)43-37-18-7-9-20-39(37)44(40-21-10-8-19-38(40)43)36-25-23-31-22-24-32-26-27-42-46(45(32)41(31)29-36)49-47(48-42)33-14-5-2-6-15-33;1-3-11-30(12-4-1)31-19-23-33(24-20-31)43-37-15-7-9-17-39(37)44(40-18-10-8-16-38(40)43)36-26-22-32-21-25-34-27-28-42-46(45(34)41(32)29-36)49-47(48-42)35-13-5-2-6-14-35;1-3-11-26(12-4-1)37-32-15-7-9-17-34(32)38(35-18-10-8-16-33(35)37)30-21-23-31-29(25-30)20-19-27-22-24-36-40(39(27)31)43-41(42-36)28-13-5-2-6-14-28/h2*1-29H;1-25H.
What are the key properties of 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole has a molecular weight of 1795.17 g/mol, XLogP of 37.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[10-(4-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 164955263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).