5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole

C38H24N4O — CID 140730755

IUPAC5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ncc(-n6c7ccccc7c7ccccc76)o5)c4)c3c2)nc1
InChIInChI=1S/C38H24N4O/c1-4-16-33-30(14-1)31-20-19-25(32-15-7-8-21-39-32)23-36(31)41(33)27-11-9-10-26(22-27)38-40-24-37(43-38)42-34-17-5-2-12-28(34)29-13-3-6-18-35(29)42/h1-24H
InChIKeyUAGYYQLIHDLWTB-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.60
Rot. Bonds4

About 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole

5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole (PubChem CID 140730755) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
PubChem CID140730755
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ncc(-n6c7ccccc7c7ccccc76)o5)c4)c3c2)nc1
InChIInChI=1S/C38H24N4O/c1-4-16-33-30(14-1)31-20-19-25(32-15-7-8-21-39-32)23-36(31)41(33)27-11-9-10-26(22-27)38-40-24-37(43-38)42-34-17-5-2-12-28(34)29-13-3-6-18-35(29)42/h1-24H
InChIKeyUAGYYQLIHDLWTB-UHFFFAOYSA-N
XLogP9.60
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole
CID 140729431
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2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
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6-pyridin-4-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329421
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CID 160823432
2-(3-carbazol-9-ylphenyl)-9-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]carbazole
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7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716
4-pyrazol-1-yl-2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
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2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-(1-methyl-6-pyridin-2-ylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazole
CID 153285337
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
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

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole?
The IUPAC name of 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole (CID 140730755) is 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole.
What is the SMILES notation for 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole?
The canonical SMILES for 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole is c1ccc(-c2ccc3c4ccccc4n(-c4cccc(-c5ncc(-n6c7ccccc7c7ccccc76)o5)c4)c3c2)nc1.
What is the InChIKey of 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole?
The InChIKey is UAGYYQLIHDLWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-4-16-33-30(14-1)31-20-19-25(32-15-7-8-21-39-32)23-36(31)41(33)27-11-9-10-26(22-27)38-40-24-37(43-38)42-34-17-5-2-12-28(34)29-13-3-6-18-35(29)42/h1-24H.
What are the key properties of 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole?
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole has a molecular weight of 552.64 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole is sourced from PubChem (CID 140730755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).