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

C68H43ClN10S2 — CID 158691186

IUPAC2-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
SMILESClc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5nc(-c6ccccc6)sc5c43)n2)cc1.c1ccc(-c2nc3ccc4c5ccccc5[nH]c4c3s2)cc1
InChIInChI=1S/C34H21N5S.C19H12N2S.C15H10ClN3/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-34(37-31)39-28-19-11-10-18-25(28)26-20-21-27-30(29(26)39)40-33(35-27)24-16-8-3-9-17-24;1-2-6-12(7-3-1)19-21-16-11-10-14-13-8-4-5-9-15(13)20-17(14)18(16)22-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-21H;1-11,20H;1-10H
InChIKeyIGJGTDQKLCVQGB-UHFFFAOYSA-N
MW1099.75 g/mol
LogP18.04
Rot. Bonds7

About 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

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 (PubChem CID 158691186) has the molecular formula C68H43ClN10S2 and a molecular weight of 1099.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID158691186
Molecular FormulaC68H43ClN10S2
Molecular Weight1099.75 g/mol
Exact Mass1098.28
IUPAC Name2-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
SMILESClc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5nc(-c6ccccc6)sc5c43)n2)cc1.c1ccc(-c2nc3ccc4c5ccccc5[nH]c4c3s2)cc1
InChIInChI=1S/C34H21N5S.C19H12N2S.C15H10ClN3/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-34(37-31)39-28-19-11-10-18-25(28)26-20-21-27-30(29(26)39)40-33(35-27)24-16-8-3-9-17-24;1-2-6-12(7-3-1)19-21-16-11-10-14-13-8-4-5-9-15(13)20-17(14)18(16)22-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-21H;1-11,20H;1-10H
InChIKeyIGJGTDQKLCVQGB-UHFFFAOYSA-N
XLogP18.04
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.75
LogP ≤ 518.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

2-[4-[4-(3-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-10H-[1,3]thiazolo[5,4-a]carbazole
CID 138474055
2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole
CID 166583370
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
CID 144788222
2-(3-bromophenyl)-4,6-diphenyl-1,3,5-triazine;10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1,3]thiazolo[5,4-a]carbazole;10H-[1,3]thiazolo[5,4-a]carbazole
CID 159027944
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
7-[4-(4-naphthalen-2-ylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 166582930
7-[12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzothiazole
CID 166583297
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-[11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzothiazole
CID 166582993
10-(2,6-dipyridin-2-yl-4-pyridinyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
CID 149344361
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-23-thia-3,21-diazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,14(22),15,17,19-decaene
CID 118602430
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-18-(3-phenylphenyl)-15-thia-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701915

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Clc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5nc(-c6ccccc6)sc5c43)n2)cc1.c1ccc(-c2nc3ccc4c5ccccc5[nH]c4c3s2)cc1.
What is the InChIKey of 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?
The InChIKey is IGJGTDQKLCVQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N5S.C19H12N2S.C15H10ClN3/c1-4-12-22(13-5-1)31-36-32(23-14-6-2-7-15-23)38-34(37-31)39-28-19-11-10-18-25(28)26-20-21-27-30(29(26)39)40-33(35-27)24-16-8-3-9-17-24;1-2-6-12(7-3-1)19-21-16-11-10-14-13-8-4-5-9-15(13)20-17(14)18(16)22-19;16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-21H;1-11,20H;1-10H.
What are the key properties of 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?
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 has a molecular weight of 1099.75 g/mol, XLogP of 18.04, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158691186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).