2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

C35H22N4O — CID 153285096

IUPAC2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccnc5)cc(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C35H22N4O/c1-3-15-31-27(12-1)34-28(24-10-8-17-36-22-24)20-25(35-38-30-14-2-4-16-33(30)40-35)21-32(34)39(31)26-11-7-9-23(19-26)29-13-5-6-18-37-29/h1-22H
InChIKeyDGLZFLDPOQHJHE-UHFFFAOYSA-N
MW514.59 g/mol
LogP8.72
Rot. Bonds4

About 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 153285096) has the molecular formula C35H22N4O and a molecular weight of 514.59 g/mol. Its IUPAC name is 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID153285096
Molecular FormulaC35H22N4O
Molecular Weight514.59 g/mol
Exact Mass514.18
IUPAC Name2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccnc5)cc(-c5nc6ccccc6o5)cc43)c2)nc1
InChIInChI=1S/C35H22N4O/c1-3-15-31-27(12-1)34-28(24-10-8-17-36-22-24)20-25(35-38-30-14-2-4-16-33(30)40-35)21-32(34)39(31)26-11-7-9-23(19-26)29-13-5-6-18-37-29/h1-22H
InChIKeyDGLZFLDPOQHJHE-UHFFFAOYSA-N
XLogP8.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.59
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
CID 142328645
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611
6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
2-(1-methyl-7-pyridin-3-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285156
2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328212
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
2-[9-[3-[3-(furan-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328834
2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328655
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
2-[9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328957

Frequently Asked Questions

What is the IUPAC name of 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 153285096) is 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5cccnc5)cc(-c5nc6ccccc6o5)cc43)c2)nc1.
What is the InChIKey of 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is DGLZFLDPOQHJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O/c1-3-15-31-27(12-1)34-28(24-10-8-17-36-22-24)20-25(35-38-30-14-2-4-16-33(30)40-35)21-32(34)39(31)26-11-7-9-23(19-26)29-13-5-6-18-37-29/h1-22H.
What are the key properties of 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 514.59 g/mol, XLogP of 8.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).