2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine

C37H23N3O2 — CID 90201733

IUPAC2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4oc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C37H23N3O2/c1-2-10-25(11-3-1)40-32-16-8-9-17-34(32)41-36-23-35-29(22-33(36)40)38-37(42-35)24-18-20-26(21-19-24)39-30-14-6-4-12-27(30)28-13-5-7-15-31(28)39/h1-23H
InChIKeyOPMPEQAFPDEMAD-UHFFFAOYSA-N
MW541.61 g/mol
LogP10.17
Rot. Bonds3

About 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine

2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine (PubChem CID 90201733) has the molecular formula C37H23N3O2 and a molecular weight of 541.61 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
PubChem CID90201733
Molecular FormulaC37H23N3O2
Molecular Weight541.61 g/mol
Exact Mass541.18
IUPAC Name2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4oc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C37H23N3O2/c1-2-10-25(11-3-1)40-32-16-8-9-17-34(32)41-36-23-35-29(22-33(36)40)38-37(42-35)24-18-20-26(21-19-24)39-30-14-6-4-12-27(30)28-13-5-7-15-31(28)39/h1-23H
InChIKeyOPMPEQAFPDEMAD-UHFFFAOYSA-N
XLogP10.17
TPSA43.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 510.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-carbazol-9-ylphenyl)-1,3-benzoxazole
CID 159198907
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]-1,3-benzoxazole
CID 126702335
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
2-[4-(4-carbazol-9-ylphenyl)phenyl]-5-(4-methylphenyl)-1,3-benzoxazole
CID 59228233
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine (CID 90201733) is 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine is c1ccc(N2c3ccccc3Oc3cc4oc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4cc32)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
The InChIKey is OPMPEQAFPDEMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O2/c1-2-10-25(11-3-1)40-32-16-8-9-17-34(32)41-36-23-35-29(22-33(36)40)38-37(42-35)24-18-20-26(21-19-24)39-30-14-6-4-12-27(30)28-13-5-7-15-31(28)39/h1-23H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine?
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine has a molecular weight of 541.61 g/mol, XLogP of 10.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine is sourced from PubChem (CID 90201733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).