2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole

C36H23N3O — CID 90201624

IUPAC2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole
SMILESc1ccc(-c2cc(-c3nc4cc5c6ccccc6n(-c6ccccc6)c5cc4o3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H23N3O/c1-4-12-24(13-5-1)30-20-26(21-31(37-30)25-14-6-2-7-15-25)36-38-32-22-29-28-18-10-11-19-33(28)39(27-16-8-3-9-17-27)34(29)23-35(32)40-36/h1-23H
InChIKeyCKFIGJFZDBCXHJ-UHFFFAOYSA-N
MW513.60 g/mol
LogP9.32
Rot. Bonds4

About 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole

2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole (PubChem CID 90201624) has the molecular formula C36H23N3O and a molecular weight of 513.60 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole.

Molecular Properties

Compound Name2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole
PubChem CID90201624
Molecular FormulaC36H23N3O
Molecular Weight513.60 g/mol
Exact Mass513.18
IUPAC Name2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole
SMILESc1ccc(-c2cc(-c3nc4cc5c6ccccc6n(-c6ccccc6)c5cc4o3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C36H23N3O/c1-4-12-24(13-5-1)30-20-26(21-31(37-30)25-14-6-2-7-15-25)36-38-32-22-29-28-18-10-11-19-33(28)39(27-16-8-3-9-17-27)34(29)23-35(32)40-36/h1-23H
InChIKeyCKFIGJFZDBCXHJ-UHFFFAOYSA-N
XLogP9.32
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-[1,3]oxazolo[4,5-b]carbazole
CID 90201671
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
7-phenyl-5-[4-[4-phenyl-6-(4-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240607
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
6-(9-phenylcarbazol-3-yl)-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 158893330
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 170681699
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole?
The IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole (CID 90201624) is 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole.
What is the SMILES notation for 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole?
The canonical SMILES for 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole is c1ccc(-c2cc(-c3nc4cc5c6ccccc6n(-c6ccccc6)c5cc4o3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole?
The InChIKey is CKFIGJFZDBCXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O/c1-4-12-24(13-5-1)30-20-26(21-31(37-30)25-14-6-2-7-15-25)36-38-32-22-29-28-18-10-11-19-33(28)39(27-16-8-3-9-17-27)34(29)23-35(32)40-36/h1-23H.
What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole?
2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole has a molecular weight of 513.60 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-4-pyridinyl)-9-phenyl-[1,3]oxazolo[5,4-b]carbazole is sourced from PubChem (CID 90201624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).