1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole

C39H25N3O — CID 138539162

IUPAC1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-4-12-26(13-5-1)37-38(27-14-6-2-7-15-27)42-35-25-29(21-23-36(35)43-39(42)40-37)28-20-22-34-32(24-28)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H
InChIKeyFAQNJZQJBVPFQY-UHFFFAOYSA-N
MW551.65 g/mol
LogP10.18
Rot. Bonds4

About 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole

1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole (PubChem CID 138539162) has the molecular formula C39H25N3O and a molecular weight of 551.65 g/mol. Its IUPAC name is 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
PubChem CID138539162
Molecular FormulaC39H25N3O
Molecular Weight551.65 g/mol
Exact Mass551.20
IUPAC Name1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2nc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccccc2)cc1
InChIInChI=1S/C39H25N3O/c1-4-12-26(13-5-1)37-38(27-14-6-2-7-15-27)42-35-25-29(21-23-36(35)43-39(42)40-37)28-20-22-34-32(24-28)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H
InChIKeyFAQNJZQJBVPFQY-UHFFFAOYSA-N
XLogP10.18
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-diphenyl-1-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole
CID 138539105
2-(9-phenylcarbazol-3-yl)-1-[9-(3-phenylphenyl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539222
2-(9-phenylcarbazol-3-yl)-1-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]imidazo[2,1-b][1,3]benzoxazole
CID 138539192
2-phenyl-1-(4-phenylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 59691075
1-dibenzofuran-2-yl-2-phenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzothiazole
CID 138539007
3-phenyl-5-(9-phenylcarbazol-3-yl)-1,2-benzoxazole
CID 153493026
9-phenyl-3-(4-phenylphenyl)-6-[9-[4-(3-phenylquinoxalin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 59489317
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
CID 163732904
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenanthridine
CID 121337166
9-[4-[3-(2,4,5-triphenylimidazol-1-yl)phenyl]phenyl]carbazole
CID 58827953
3-[9-(2,3-diphenylimidazo[1,2-a]pyridin-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159206818
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The IUPAC name of 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole (CID 138539162) is 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole is c1ccc(-c2nc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4n3c2-c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
The InChIKey is FAQNJZQJBVPFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3O/c1-4-12-26(13-5-1)37-38(27-14-6-2-7-15-27)42-35-25-29(21-23-36(35)43-39(42)40-37)28-20-22-34-32(24-28)31-18-10-11-19-33(31)41(34)30-16-8-3-9-17-30/h1-25H.
What are the key properties of 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole?
1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole has a molecular weight of 551.65 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-7-(9-phenylcarbazol-3-yl)imidazo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 138539162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).