2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

C42H27N3O — CID 153285437

IUPAC2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3cccc4c3c3ccc(-c5nc6ccccc6o5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C42H27N3O/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-17-38-41(34)35-24-23-32(42-44-37-16-4-5-18-40(37)46-42)27-39(35)45(38)33-13-8-12-31(26-33)36-15-6-7-25-43-36/h1-27H
InChIKeyVDIZJGIGXAXSEJ-UHFFFAOYSA-N
MW589.70 g/mol
LogP10.99
Rot. Bonds5

About 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole

2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (PubChem CID 153285437) has the molecular formula C42H27N3O and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
PubChem CID153285437
Molecular FormulaC42H27N3O
Molecular Weight589.70 g/mol
Exact Mass589.22
IUPAC Name2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc(-c3cccc4c3c3ccc(-c5nc6ccccc6o5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1
InChIInChI=1S/C42H27N3O/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-17-38-41(34)35-24-23-32(42-44-37-16-4-5-18-40(37)46-42)27-39(35)45(38)33-13-8-12-31(26-33)36-15-6-7-25-43-36/h1-27H
InChIKeyVDIZJGIGXAXSEJ-UHFFFAOYSA-N
XLogP10.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[4-pyridin-3-yl-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 153285096
2-[9-(3-pyridin-2-ylphenyl)-4-(1,3-thiazol-2-yl)carbazol-2-yl]-1,3-benzoxazole
CID 142328645
5-(1,3-benzoxazol-2-yl)-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 177081994
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 155444658
2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-7-thiophen-2-yl-1,3-benzoxazole
CID 142329463
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611
2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328212
2-[9-(5-pyridin-2-yl-2-pyrrol-1-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142328957
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole (CID 153285437) is 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc(-c3cccc4c3c3ccc(-c5nc6ccccc6o5)cc3n4-c3cccc(-c4ccccn4)c3)cc2)cc1.
What is the InChIKey of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
The InChIKey is VDIZJGIGXAXSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N3O/c1-2-10-28(11-3-1)29-19-21-30(22-20-29)34-14-9-17-38-41(34)35-24-23-32(42-44-37-16-4-5-18-40(37)46-42)27-39(35)45(38)33-13-8-12-31(26-33)36-15-6-7-25-43-36/h1-27H.
What are the key properties of 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole?
2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 589.70 g/mol, XLogP of 10.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylphenyl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 153285437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).