4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole

C32H21N3O — CID 140818723

IUPAC4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole
SMILESc1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6ocnc65)c4)c3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-2-7-22(8-3-1)23-13-15-24(16-14-23)25-17-18-33-29(20-25)26-9-6-10-27(19-26)35-30-12-5-4-11-28(30)31-32(35)34-21-36-31/h1-21H
InChIKeyFWGKBZCOGAYPDX-UHFFFAOYSA-N
MW463.54 g/mol
LogP8.17
Rot. Bonds4

About 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole

4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole (PubChem CID 140818723) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole.

Molecular Properties

Compound Name4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole
PubChem CID140818723
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole
SMILESc1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6ocnc65)c4)c3)cc2)cc1
InChIInChI=1S/C32H21N3O/c1-2-7-22(8-3-1)23-13-15-24(16-14-23)25-17-18-33-29(20-25)26-9-6-10-27(19-26)35-30-12-5-4-11-28(30)31-32(35)34-21-36-31/h1-21H
InChIKeyFWGKBZCOGAYPDX-UHFFFAOYSA-N
XLogP8.17
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]phenyl]carbazole
CID 122627429
9-[3-[2-[3-(3-carbazol-9-ylphenyl)phenyl]-4-pyridinyl]phenyl]carbazole
CID 155771450
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
5-(4-phenyl-2-pyridinyl)-7-(3-pyridin-2-ylphenyl)benzo[c]carbazole
CID 159887886
3-[2-[4-(4-carbazol-9-ylphenyl)-2-pyridinyl]-4-pyridinyl]-9-phenylcarbazole
CID 130326868
9-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]carbazole
CID 58943621
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
9-[3-[4-[6-[4-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;methane
CID 157279504
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060
3-(9-phenylcarbazol-3-yl)-9-[3-(6-phenyl-4-pyridin-4-yl-2-pyridinyl)phenyl]carbazole
CID 144537302
4-[4-(3-carbazol-9-ylphenyl)phenyl]pyridine-2-carbonitrile
CID 146543438

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole?
The IUPAC name of 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole (CID 140818723) is 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole.
What is the SMILES notation for 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole?
The canonical SMILES for 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole is c1ccc(-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6ocnc65)c4)c3)cc2)cc1.
What is the InChIKey of 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole?
The InChIKey is FWGKBZCOGAYPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c1-2-7-22(8-3-1)23-13-15-24(16-14-23)25-17-18-33-29(20-25)26-9-6-10-27(19-26)35-30-12-5-4-11-28(30)31-32(35)34-21-36-31/h1-21H.
What are the key properties of 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole?
4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole has a molecular weight of 463.54 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-[1,3]oxazolo[4,5-b]indole is sourced from PubChem (CID 140818723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).