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

C35H35N3O — CID 140716735

IUPAC2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole
SMILESCCCCC(CCCC)(c1cccc(-n2c3ccccc3c3ccc(-c4ncco4)cc32)c1)c1ccccn1
InChIInChI=1S/C35H35N3O/c1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34/h7-18,21-25H,3-6,19-20H2,1-2H3
InChIKeyPLVPABZHOZULCG-UHFFFAOYSA-N
MW513.69 g/mol
LogP9.50
Rot. Bonds10

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

2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole (PubChem CID 140716735) has the molecular formula C35H35N3O and a molecular weight of 513.69 g/mol. Its IUPAC name is 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole
PubChem CID140716735
Molecular FormulaC35H35N3O
Molecular Weight513.69 g/mol
Exact Mass513.28
IUPAC Name2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole
SMILESCCCCC(CCCC)(c1cccc(-n2c3ccccc3c3ccc(-c4ncco4)cc32)c1)c1ccccn1
InChIInChI=1S/C35H35N3O/c1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34/h7-18,21-25H,3-6,19-20H2,1-2H3
InChIKeyPLVPABZHOZULCG-UHFFFAOYSA-N
XLogP9.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.69
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzothiazol-6-yl]-1,3-oxazole
CID 142329489
2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole
CID 140716845
2-[7-(1-methylbenzimidazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-3-yl]-1,3-oxazole
CID 142329290
2-[9-[3-[3-(1,3-oxazol-2-yl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328212
2-[3-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-1,3-oxazole
CID 141495117
2-[9-[4-(1,3-oxazol-2-yl)-3-pyridin-2-ylphenyl]carbazol-2-yl]-1,3-benzoxazole
CID 142328655
9-(3-tert-butylphenyl)-2-[9-(4-tert-butylphenyl)carbazol-2-yl]carbazole
CID 126685172
5-carbazol-9-yl-2-[3-(2-pyridin-2-ylcarbazol-9-yl)phenyl]-1,3-oxazole
CID 140730755
5-carbazol-9-yl-2-[9-(3-pyrido[2,3-b]indol-9-ylphenyl)carbazol-2-yl]-1,3-oxazole
CID 140729431
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
2-[3-[14-[3,5-bis(1,3-oxazol-2-yl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-5-(1,3-oxazol-2-yl)phenyl]-1,3-oxazole
CID 135252833
2-[3-(1,3-oxazol-2-yl)-9-(3-pyridin-2-ylphenyl)carbazol-2-yl]-1,3-benzoxazole
CID 142329611

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole?
The IUPAC name of 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole (CID 140716735) is 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole is CCCCC(CCCC)(c1cccc(-n2c3ccccc3c3ccc(-c4ncco4)cc32)c1)c1ccccn1.
What is the InChIKey of 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole?
The InChIKey is PLVPABZHOZULCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O/c1-3-5-19-35(20-6-4-2,33-16-9-10-21-36-33)27-12-11-13-28(25-27)38-31-15-8-7-14-29(31)30-18-17-26(24-32(30)38)34-37-22-23-39-34/h7-18,21-25H,3-6,19-20H2,1-2H3.
What are the key properties of 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole?
2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole has a molecular weight of 513.69 g/mol, XLogP of 9.50, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-(5-pyridin-2-ylnonan-5-yl)phenyl]carbazol-2-yl]-1,3-oxazole is sourced from PubChem (CID 140716735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).