2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole

C34H21N3OS — CID 142329463

IUPAC2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7cccs7)c6o5)cc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-14-30-25(10-1)26-17-16-23(34-36-29-13-6-11-27(33(29)38-34)32-15-7-19-39-32)21-31(26)37(30)24-9-5-8-22(20-24)28-12-3-4-18-35-28/h1-21H
InChIKeyKJEDFNTZJLHFFD-UHFFFAOYSA-N
MW519.63 g/mol
LogP9.38
Rot. Bonds4

About 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole

2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole (PubChem CID 142329463) has the molecular formula C34H21N3OS and a molecular weight of 519.63 g/mol. Its IUPAC name is 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
PubChem CID142329463
Molecular FormulaC34H21N3OS
Molecular Weight519.63 g/mol
Exact Mass519.14
IUPAC Name2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7cccs7)c6o5)cc43)c2)nc1
InChIInChI=1S/C34H21N3OS/c1-2-14-30-25(10-1)26-17-16-23(34-36-29-13-6-11-27(33(29)38-34)32-15-7-19-39-32)21-31(26)37(30)24-9-5-8-22(20-24)28-12-3-4-18-35-28/h1-21H
InChIKeyKJEDFNTZJLHFFD-UHFFFAOYSA-N
XLogP9.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 142329340
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
CID 142328645
2-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)-3,6-dithiophen-2-ylcarbazole
CID 142329004
6-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]phenanthridine
CID 160823432
7-(furan-3-yl)-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazole
CID 153285650
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole?
The IUPAC name of 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole (CID 142329463) is 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole.
What is the SMILES notation for 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole?
The canonical SMILES for 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6cccc(-c7cccs7)c6o5)cc43)c2)nc1.
What is the InChIKey of 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole?
The InChIKey is KJEDFNTZJLHFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3OS/c1-2-14-30-25(10-1)26-17-16-23(34-36-29-13-6-11-27(33(29)38-34)32-15-7-19-39-32)21-31(26)37(30)24-9-5-8-22(20-24)28-12-3-4-18-35-28/h1-21H.
What are the key properties of 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole?
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole has a molecular weight of 519.63 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole is sourced from PubChem (CID 142329463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).