2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole

C43H27NO — CID 164758438

IUPAC2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4)cc3o2)cc1
InChIInChI=1S/C43H27NO/c1-3-12-28(13-4-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)34-21-11-16-32-26-30(22-24-33(32)34)31-23-25-39-40(27-31)45-43(44-39)29-14-5-2-6-15-29/h1-27H
InChIKeyLZVNRJOKGJVZSY-UHFFFAOYSA-N
MW573.70 g/mol
LogP11.96
Rot. Bonds4

About 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole

2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole (PubChem CID 164758438) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
PubChem CID164758438
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3ccc(-c4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4)cc3o2)cc1
InChIInChI=1S/C43H27NO/c1-3-12-28(13-4-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)34-21-11-16-32-26-30(22-24-33(32)34)31-23-25-39-40(27-31)45-43(44-39)29-14-5-2-6-15-29/h1-27H
InChIKeyLZVNRJOKGJVZSY-UHFFFAOYSA-N
XLogP11.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,3-benzoxazole;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,3-benzoxazole
CID 159053845
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
9-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840439
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840414
2-phenyl-9-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-e][1,3]benzoxazole
CID 164840377
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
2-[4-[9-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,10-phenanthrolin-2-yl]phenyl]-1,3-benzoxazole
CID 122578278
2-phenyl-7-[10-(6-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran;3-phenyl-7-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]dibenzofuran
CID 161333068
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole;10-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole;2-phenyl-9-(10-phenylanthracen-9-yl)naphtho[1,2-e][1,3]benzoxazole;2-phenyl-6-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 165013690
2-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzoxazole
CID 58963337

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole (CID 164758438) is 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole is c1ccc(-c2nc3ccc(-c4ccc5c(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)cccc5c4)cc3o2)cc1.
What is the InChIKey of 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole?
The InChIKey is LZVNRJOKGJVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-3-12-28(13-4-1)41-35-17-7-9-19-37(35)42(38-20-10-8-18-36(38)41)34-21-11-16-32-26-30(22-24-33(32)34)31-23-25-39-40(27-31)45-43(44-39)29-14-5-2-6-15-29/h1-27H.
What are the key properties of 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole?
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole has a molecular weight of 573.70 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 164758438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).