6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

C47H27NO2 — CID 164758412

IUPAC6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4c(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)cc5ccccc5c4c3o2)cc1
InChIInChI=1S/C47H27NO2/c1-2-12-28(13-3-1)47-48-40-25-24-38-39(26-29-14-4-5-15-31(29)45(38)46(40)50-47)44-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)44)30-22-23-33-32-16-10-11-21-41(32)49-42(33)27-30/h1-27H
InChIKeyJWPBKLDUJHLVIQ-UHFFFAOYSA-N
MW637.74 g/mol
LogP13.34
Rot. Bonds3

About 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole

6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (PubChem CID 164758412) has the molecular formula C47H27NO2 and a molecular weight of 637.74 g/mol. Its IUPAC name is 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
PubChem CID164758412
Molecular FormulaC47H27NO2
Molecular Weight637.74 g/mol
Exact Mass637.20
IUPAC Name6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
SMILESc1ccc(-c2nc3ccc4c(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)cc5ccccc5c4c3o2)cc1
InChIInChI=1S/C47H27NO2/c1-2-12-28(13-3-1)47-48-40-25-24-38-39(26-29-14-4-5-15-31(29)45(38)46(40)50-47)44-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)44)30-22-23-33-32-16-10-11-21-41(32)49-42(33)27-30/h1-27H
InChIKeyJWPBKLDUJHLVIQ-UHFFFAOYSA-N
XLogP13.34
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

7-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 164840436
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
13-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177086383
2-phenyl-9-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840376
2-phenyl-9-[10-(2-phenylquinolin-4-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840399
N-(4-dibenzofuran-3-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 168743053
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-[4-(3-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764260
19-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631586
3-[10-[3-[3-[10-(10-dibenzofuran-3-ylanthracen-9-yl)phenanthren-3-yl]phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170261010
N-(4-dibenzofuran-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-6-amine
CID 177119663

Frequently Asked Questions

What is the IUPAC name of 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole (CID 164758412) is 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is c1ccc(-c2nc3ccc4c(-c5c6ccccc6c(-c6ccc7c(c6)oc6ccccc67)c6ccccc56)cc5ccccc5c4c3o2)cc1.
What is the InChIKey of 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is JWPBKLDUJHLVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27NO2/c1-2-12-28(13-3-1)47-48-40-25-24-38-39(26-29-14-4-5-15-31(29)45(38)46(40)50-47)44-36-19-8-6-17-34(36)43(35-18-7-9-20-37(35)44)30-22-23-33-32-16-10-11-21-41(32)49-42(33)27-30/h1-27H.
What are the key properties of 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole?
6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 637.74 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-dibenzofuran-3-ylanthracen-9-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 164758412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).