2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole

C33H19ClN4S — CID 146616834

IUPAC2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4cccc5sc6ccccc6c45)c3c2)n1
InChIInChI=1S/C33H19ClN4S/c34-33-36-31(20-9-2-1-3-10-20)35-32(37-33)21-17-18-23-22-11-4-6-13-25(22)38(27(23)19-21)26-14-8-16-29-30(26)24-12-5-7-15-28(24)39-29/h1-19H
InChIKeyNNLFYWNIQGTNLW-UHFFFAOYSA-N
MW539.06 g/mol
LogP9.32
Rot. Bonds3

About 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole

2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole (PubChem CID 146616834) has the molecular formula C33H19ClN4S and a molecular weight of 539.06 g/mol. Its IUPAC name is 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole.

Molecular Properties

Compound Name2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole
PubChem CID146616834
Molecular FormulaC33H19ClN4S
Molecular Weight539.06 g/mol
Exact Mass538.10
IUPAC Name2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole
SMILESClc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4cccc5sc6ccccc6c45)c3c2)n1
InChIInChI=1S/C33H19ClN4S/c34-33-36-31(20-9-2-1-3-10-20)35-32(37-33)21-17-18-23-22-11-4-6-13-25(22)38(27(23)19-21)26-14-8-16-29-30(26)24-12-5-7-15-28(24)39-29/h1-19H
InChIKeyNNLFYWNIQGTNLW-UHFFFAOYSA-N
XLogP9.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.06
LogP ≤ 59.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
9-[6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010600
9-dibenzothiophen-1-yl-3-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 90291697
9-[16-[4-[3-[3-[4-(19-carbazol-9-yl-10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15,17,19-nonaen-6-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14(19),15,17-nonaen-5-yl]carbazole
CID 166980236
2-[4-(4-chloro-3-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 155474760
9-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-4-yl]carbazole
CID 169011465
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]carbazole
CID 166952899
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
7-carbazol-9-yl-12-phenyl-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole
CID 171591812
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzothiophen-1-yl]carbazole
CID 169010921
1-[2-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807757
9-[4-carbazol-9-yl-6-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 163467977

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole?
The IUPAC name of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole (CID 146616834) is 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole.
What is the SMILES notation for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole?
The canonical SMILES for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole is Clc1nc(-c2ccccc2)nc(-c2ccc3c4ccccc4n(-c4cccc5sc6ccccc6c45)c3c2)n1.
What is the InChIKey of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole?
The InChIKey is NNLFYWNIQGTNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19ClN4S/c34-33-36-31(20-9-2-1-3-10-20)35-32(37-33)21-17-18-23-22-11-4-6-13-25(22)38(27(23)19-21)26-14-8-16-29-30(26)24-12-5-7-15-28(24)39-29/h1-19H.
What are the key properties of 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole?
2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole has a molecular weight of 539.06 g/mol, XLogP of 9.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzothiophen-1-ylcarbazole is sourced from PubChem (CID 146616834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).