8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole

C55H33ClN4S — CID 142570032

IUPAC8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5[nH]c5ccc7ccccc7c56)cc5c4sc4ccccc45)c3)cc2)n1
InChIInChI=1S/C55H33ClN4S/c56-55-59-53(37-24-20-34(21-25-37)33-10-2-1-3-11-33)58-54(60-55)38-26-22-35(23-27-38)39-13-8-14-40(30-39)46-31-41(32-47-44-16-6-7-19-49(44)61-52(46)47)43-17-9-18-45-50-42-15-5-4-12-36(42)28-29-48(50)57-51(43)45/h1-32,57H
InChIKeyYBFLOUHEMMYMMF-UHFFFAOYSA-N
MW817.42 g/mol
LogP15.68
Rot. Bonds6

About 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole

8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole (PubChem CID 142570032) has the molecular formula C55H33ClN4S and a molecular weight of 817.42 g/mol. Its IUPAC name is 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole.

Molecular Properties

Compound Name8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole
PubChem CID142570032
Molecular FormulaC55H33ClN4S
Molecular Weight817.42 g/mol
Exact Mass816.21
IUPAC Name8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole
SMILESClc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5[nH]c5ccc7ccccc7c56)cc5c4sc4ccccc45)c3)cc2)n1
InChIInChI=1S/C55H33ClN4S/c56-55-59-53(37-24-20-34(21-25-37)33-10-2-1-3-11-33)58-54(60-55)38-26-22-35(23-27-38)39-13-8-14-40(30-39)46-31-41(32-47-44-16-6-7-19-49(44)61-52(46)47)43-17-9-18-45-50-42-15-5-4-12-36(42)28-29-48(50)57-51(43)45/h1-32,57H
InChIKeyYBFLOUHEMMYMMF-UHFFFAOYSA-N
XLogP15.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.42
LogP ≤ 515.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,1-b][1]benzothiol-8-yl]-5H-benzo[b]carbazole
CID 142570011
8-(4-dibenzothiophen-2-ylphenyl)-7H-benzo[c]carbazole
CID 142567945
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-chloro-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,1-b][1]benzothiol-10-yl]-1,3,5-triazine
CID 138519538
8-[3-[6-[3-(4-chloro-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-7H-benzo[c]carbazole
CID 142568610
8-[4-[7-(4-chloro-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]naphtho[2,1-b][1]benzothiol-8-yl]-7H-benzo[c]carbazole
CID 142571379
2,4-diphenyl-6-[9-[4-(3-phenylphenyl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170201719
8-[3-[4-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]naphtho[2,3-b][1]benzofuran-6-yl]-7H-benzo[c]carbazole
CID 142570232
2-dibenzothiophen-4-yl-4-[3-(4-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15,17,19,21-undecaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 137393565
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139441952
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
2-chloro-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 118539812

Frequently Asked Questions

What is the IUPAC name of 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole?
The IUPAC name of 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole (CID 142570032) is 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole.
What is the SMILES notation for 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole?
The canonical SMILES for 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole is Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2ccc(-c3cccc(-c4cc(-c5cccc6c5[nH]c5ccc7ccccc7c56)cc5c4sc4ccccc45)c3)cc2)n1.
What is the InChIKey of 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole?
The InChIKey is YBFLOUHEMMYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33ClN4S/c56-55-59-53(37-24-20-34(21-25-37)33-10-2-1-3-11-33)58-54(60-55)38-26-22-35(23-27-38)39-13-8-14-40(30-39)46-31-41(32-47-44-16-6-7-19-49(44)61-52(46)47)43-17-9-18-45-50-42-15-5-4-12-36(42)28-29-48(50)57-51(43)45/h1-32,57H.
What are the key properties of 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole?
8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole has a molecular weight of 817.42 g/mol, XLogP of 15.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[3-[4-[4-chloro-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]dibenzothiophen-2-yl]-7H-benzo[c]carbazole is sourced from PubChem (CID 142570032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).