2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole

C34H20ClN5S — CID 138474090

IUPAC2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc5cc6[nH]c7ccccc7c6cc5s4)cc3)cc2)n1
InChIInChI=1S/C34H20ClN5S/c35-34-39-31(22-6-2-1-3-7-22)38-32(40-34)23-14-10-20(11-15-23)21-12-16-24(17-13-21)33-37-29-19-28-26(18-30(29)41-33)25-8-4-5-9-27(25)36-28/h1-19,36H
InChIKeyXVMIKSGWJZSDRJ-UHFFFAOYSA-N
MW566.09 g/mol
LogP9.44
Rot. Bonds4

About 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole

2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole (PubChem CID 138474090) has the molecular formula C34H20ClN5S and a molecular weight of 566.09 g/mol. Its IUPAC name is 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole.

Molecular Properties

Compound Name2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole
PubChem CID138474090
Molecular FormulaC34H20ClN5S
Molecular Weight566.09 g/mol
Exact Mass565.11
IUPAC Name2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole
SMILESClc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc5cc6[nH]c7ccccc7c6cc5s4)cc3)cc2)n1
InChIInChI=1S/C34H20ClN5S/c35-34-39-31(22-6-2-1-3-7-22)38-32(40-34)23-14-10-20(11-15-23)21-12-16-24(17-13-21)33-37-29-19-28-26(18-30(29)41-33)25-8-4-5-9-27(25)36-28/h1-19,36H
InChIKeyXVMIKSGWJZSDRJ-UHFFFAOYSA-N
XLogP9.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.09
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 153310249
17-[3-[4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15(20),16,18-decaene
CID 163977300
2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole;2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazole
CID 158691186
2-phenyl-5-[4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 170681601
2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
2-chloro-4,6-diphenyl-1,3,5-triazine;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene;11-phenyl-15-thia-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 158662230
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
CID 138474055
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2-(4-naphthalen-1-ylphenyl)-1,3-benzothiazole
CID 163738860
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 121306334
2-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-f][1,3]benzothiazole
CID 171456256
2-phenyl-6-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole
CID 153310133

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole?
The IUPAC name of 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole (CID 138474090) is 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole.
What is the SMILES notation for 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole?
The canonical SMILES for 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole is Clc1nc(-c2ccccc2)nc(-c2ccc(-c3ccc(-c4nc5cc6[nH]c7ccccc7c6cc5s4)cc3)cc2)n1.
What is the InChIKey of 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole?
The InChIKey is XVMIKSGWJZSDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClN5S/c35-34-39-31(22-6-2-1-3-7-22)38-32(40-34)23-14-10-20(11-15-23)21-12-16-24(17-13-21)33-37-29-19-28-26(18-30(29)41-33)25-8-4-5-9-27(25)36-28/h1-19,36H.
What are the key properties of 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole?
2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole has a molecular weight of 566.09 g/mol, XLogP of 9.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9H-[1,3]thiazolo[4,5-b]carbazole is sourced from PubChem (CID 138474090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).