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

C35H22N4O — CID 142329421

IUPAC6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccc(-c7ccncc7)cc6o5)cc43)c2)nc1
InChIInChI=1S/C35H22N4O/c1-2-10-32-28(8-1)29-13-11-26(35-38-31-14-12-24(22-34(31)40-35)23-15-18-36-19-16-23)21-33(29)39(32)27-7-5-6-25(20-27)30-9-3-4-17-37-30/h1-22H
InChIKeyPNODZKVQOGUHFT-UHFFFAOYSA-N
MW514.59 g/mol
LogP8.72
Rot. Bonds4

About 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 142329421) has the molecular formula C35H22N4O and a molecular weight of 514.59 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID142329421
Molecular FormulaC35H22N4O
Molecular Weight514.59 g/mol
Exact Mass514.18
IUPAC Name6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccc(-c7ccncc7)cc6o5)cc43)c2)nc1
InChIInChI=1S/C35H22N4O/c1-2-10-32-28(8-1)29-13-11-26(35-38-31-14-12-24(22-34(31)40-35)23-15-18-36-19-16-23)21-33(29)39(32)27-7-5-6-25(20-27)30-9-3-4-17-37-30/h1-22H
InChIKeyPNODZKVQOGUHFT-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

7-pyridin-2-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285686
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285437
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
CID 142329463
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329548
5-(1-methylimidazol-2-yl)-2-[6-(1-methylimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328663
2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3-benzoxazole
CID 137473397
2-(4-carbazol-9-ylphenyl)-6-phenyl-1,3-benzoxazole
CID 59228217
2-[9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328957
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
CID 134252122
2-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285096

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 142329421) is 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc(-c5nc6ccc(-c7ccncc7)cc6o5)cc43)c2)nc1.
What is the InChIKey of 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is PNODZKVQOGUHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4O/c1-2-10-32-28(8-1)29-13-11-26(35-38-31-14-12-24(22-34(31)40-35)23-15-18-36-19-16-23)21-33(29)39(32)27-7-5-6-25(20-27)30-9-3-4-17-37-30/h1-22H.
What are the key properties of 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
6-pyridin-4-yl-2-[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 6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 142329421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).