2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole

C42H26N4O2 — CID 59999895

IUPAC2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5oc6ccccc6n45)cc3)cc2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-11-29(12-4-1)37-39(45-33-15-7-9-17-35(33)47-41(45)43-37)31-23-19-27(20-24-31)28-21-25-32(26-22-28)40-38(30-13-5-2-6-14-30)44-42-46(40)34-16-8-10-18-36(34)48-42/h1-26H
InChIKeyGOQXRXGCIUKADV-UHFFFAOYSA-N
MW618.70 g/mol
LogP10.81
Rot. Bonds5

About 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole

2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole (PubChem CID 59999895) has the molecular formula C42H26N4O2 and a molecular weight of 618.70 g/mol. Its IUPAC name is 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole
PubChem CID59999895
Molecular FormulaC42H26N4O2
Molecular Weight618.70 g/mol
Exact Mass618.21
IUPAC Name2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5oc6ccccc6n45)cc3)cc2)cc1
InChIInChI=1S/C42H26N4O2/c1-3-11-29(12-4-1)37-39(45-33-15-7-9-17-35(33)47-41(45)43-37)31-23-19-27(20-24-31)28-21-25-32(26-22-28)40-38(30-13-5-2-6-14-30)44-42-46(40)34-16-8-10-18-36(34)48-42/h1-26H
InChIKeyGOQXRXGCIUKADV-UHFFFAOYSA-N
XLogP10.81
TPSA60.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.70
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole (CID 59999895) is 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc3oc4ccccc4n3c2-c2ccc(-c3ccc(-c4c(-c5ccccc5)nc5oc6ccccc6n45)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is GOQXRXGCIUKADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O2/c1-3-11-29(12-4-1)37-39(45-33-15-7-9-17-35(33)47-41(45)43-37)31-23-19-27(20-24-31)28-21-25-32(26-22-28)40-38(30-13-5-2-6-14-30)44-42-46(40)34-16-8-10-18-36(34)48-42/h1-26H.
What are the key properties of 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole?
2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 618.70 g/mol, XLogP of 10.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[4-(2-phenylimidazo[2,1-b][1,3]benzoxazol-1-yl)phenyl]phenyl]imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 59999895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).