2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole

C39H27N3S — CID 140716193

IUPAC2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)(c2ccc3c4ccccc4n(-c4cccc(-c5nccs5)c4)c3c2)c2ccccn2)cc1
InChIInChI=1S/C39H27N3S/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30,37-20-9-10-23-40-37)31-21-22-34-33-18-7-8-19-35(33)42(36(34)27-31)32-17-11-12-28(26-32)38-41-24-25-43-38/h1-27H
InChIKeyCQVMFFRABPIITP-UHFFFAOYSA-N
MW569.73 g/mol
LogP9.68
Rot. Bonds6

About 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole

2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole (PubChem CID 140716193) has the molecular formula C39H27N3S and a molecular weight of 569.73 g/mol. Its IUPAC name is 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole
PubChem CID140716193
Molecular FormulaC39H27N3S
Molecular Weight569.73 g/mol
Exact Mass569.19
IUPAC Name2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)(c2ccc3c4ccccc4n(-c4cccc(-c5nccs5)c4)c3c2)c2ccccn2)cc1
InChIInChI=1S/C39H27N3S/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30,37-20-9-10-23-40-37)31-21-22-34-33-18-7-8-19-35(33)42(36(34)27-31)32-17-11-12-28(26-32)38-41-24-25-43-38/h1-27H
InChIKeyCQVMFFRABPIITP-UHFFFAOYSA-N
XLogP9.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-9-[3-(3-carbazol-9-ylphenyl)phenyl]-6-tritylcarbazole
CID 142391271
9-phenyl-3-[9-(3-phenylphenyl)carbazol-3-yl]-6-tritylcarbazole
CID 130230832
[1-[3-(1,3-thiazol-2-yl)phenyl]benzimidazol-2-yl]methanamine
CID 90700681
2-(1H-imidazol-2-yl)-9-[3-(2,2,4,4-tetramethyl-3-pyridin-2-ylpentan-3-yl)phenyl]carbazole
CID 140716845
2-tert-butyl-9-[3-[3-(2-tert-butylcarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]carbazole
CID 59501634
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]carbazole
CID 165386024
5-phenyl-11-[3-(5-thiophen-2-ylthiophen-2-yl)phenyl]indolo[3,2-b]carbazole
CID 130417409
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
2-[9-[3-[3-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 153285461
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
2-[9-(3-pyridin-2-ylphenyl)-3-thiophen-2-ylcarbazol-2-yl]-1,3-benzothiazole
CID 142329467
9-(3-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole;9-(4-phenylphenyl)-7-[9-(3-phenylphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 157472060

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole (CID 140716193) is 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole is c1ccc(C(c2ccccc2)(c2ccc3c4ccccc4n(-c4cccc(-c5nccs5)c4)c3c2)c2ccccn2)cc1.
What is the InChIKey of 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole?
The InChIKey is CQVMFFRABPIITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3S/c1-3-13-29(14-4-1)39(30-15-5-2-6-16-30,37-20-9-10-23-40-37)31-21-22-34-33-18-7-8-19-35(33)42(36(34)27-31)32-17-11-12-28(26-32)38-41-24-25-43-38/h1-27H.
What are the key properties of 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole?
2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole has a molecular weight of 569.73 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[diphenyl(pyridin-2-yl)methyl]carbazol-9-yl]phenyl]-1,3-thiazole is sourced from PubChem (CID 140716193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).