2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C41H27NO — CID 166990862

IUPAC2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccccc23)cc1
InChIInChI=1S/C41H27NO/c1-3-11-26(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/h1-25,41-42H
InChIKeyDBIIHDMMGSCAET-UHFFFAOYSA-N
MW549.67 g/mol
LogP11.14
Rot. Bonds3

About 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 166990862) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID166990862
Molecular FormulaC41H27NO
Molecular Weight549.67 g/mol
Exact Mass549.21
IUPAC Name2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccccc23)cc1
InChIInChI=1S/C41H27NO/c1-3-11-26(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/h1-25,41-42H
InChIKeyDBIIHDMMGSCAET-UHFFFAOYSA-N
XLogP11.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 511.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazinan-2-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614519
10-(4,6-diphenyl-1,3,5-triazinan-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 129095246
2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614495
2-phenyl-10-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 146330041
10-(4,6-diphenyl-1,2,3,4-tetrahydropyrimidin-2-yl)-2-phenyl-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614349
1,2-diphenyl-7-(10-phenylanthracen-9-yl)benzo[e][1]benzofuran
CID 155597210
4-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-2,3-dihydrophenanthro[10,9-d][1,3]oxazol-5-yl)phenyl]aniline
CID 166889186
16-(12-phenylbenzo[a]anthracen-7-yl)hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaene
CID 167411794
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-9-amine
CID 166889500
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-2,3-dihydrophenanthro[9,10-d][1,3]oxazol-10-amine
CID 166889328
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
4-(10-phenylanthracen-9-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167412900

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 166990862) is 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2c3ccccc3c(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccccc23)cc1.
What is the InChIKey of 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is DBIIHDMMGSCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-3-11-26(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/h1-25,41-42H.
What are the key properties of 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 549.67 g/mol, XLogP of 11.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-(10-phenylanthracen-9-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 166990862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).