2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

C44H26N2O2 — CID 169314088

IUPAC2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESc1ccc2c(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9cccc%10ccccc9%10)cc8)nc7cc6cc5o4)cc3)cccc2c1
InChIInChI=1S/C44H26N2O2/c1-3-11-35-27(7-1)9-5-13-37(35)29-15-19-31(20-16-29)43-45-39-23-33-26-42-40(24-34(33)25-41(39)47-43)46-44(48-42)32-21-17-30(18-22-32)38-14-6-10-28-8-2-4-12-36(28)38/h1-26H
InChIKeyBWNMLIKEGRUWKF-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole

2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (PubChem CID 169314088) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.

Molecular Properties

Compound Name2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
PubChem CID169314088
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
SMILESc1ccc2c(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9cccc%10ccccc9%10)cc8)nc7cc6cc5o4)cc3)cccc2c1
InChIInChI=1S/C44H26N2O2/c1-3-11-35-27(7-1)9-5-13-37(35)29-15-19-31(20-16-29)43-45-39-23-33-26-42-40(24-34(33)25-41(39)47-43)46-44(48-42)32-21-17-30(18-22-32)38-14-6-10-28-8-2-4-12-36(28)38/h1-26H
InChIKeyBWNMLIKEGRUWKF-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzo[f][1,3]benzoxazol-2-ylphenyl)methanamine
CID 130449908
6-(4-naphthalen-1-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 149428077
N-(4-naphthalen-1-ylphenyl)-N,2-diphenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-7-amine
CID 167127303
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
2-[4-[6-[4-(1,3-benzoxazol-2-yl)phenyl]-3,5-dinaphthalen-1-yl-2-pyridinyl]phenyl]-1,3-benzoxazole
CID 130440894
2-[4-[4-[3,6-bis(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]phenyl]-1,3-benzoxazole
CID 59227953
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]aniline
CID 167127200
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
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
2-phenyl-6-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]-1,3-benzoxazole
CID 164758438
2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The IUPAC name of 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole (CID 169314088) is 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole.
What is the SMILES notation for 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The canonical SMILES for 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is c1ccc2c(-c3ccc(-c4nc5cc6cc7oc(-c8ccc(-c9cccc%10ccccc9%10)cc8)nc7cc6cc5o4)cc3)cccc2c1.
What is the InChIKey of 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
The InChIKey is BWNMLIKEGRUWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-11-35-27(7-1)9-5-13-37(35)29-15-19-31(20-16-29)43-45-39-23-33-26-42-40(24-34(33)25-41(39)47-43)46-44(48-42)32-21-17-30(18-22-32)38-14-6-10-28-8-2-4-12-36(28)38/h1-26H.
What are the key properties of 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole?
2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-naphthalen-1-ylphenyl)-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole is sourced from PubChem (CID 169314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).