5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

C51H36N4S — CID 149422626

IUPAC5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc4c(c3)sc3ccccc34)-c3ccccc3C53CCCCC3)n2)cc1
InChIInChI=1S/C51H36N4S/c1-4-14-32(15-5-1)48-52-49(33-16-6-2-7-17-33)54-50(53-48)34-22-25-44-40(28-34)41-30-43-39(36-18-8-10-20-42(36)51(43)26-12-3-13-27-51)31-45(41)55(44)35-23-24-38-37-19-9-11-21-46(37)56-47(38)29-35/h1-2,4-11,14-25,28-31H,3,12-13,26-27H2
InChIKeyYTLZXNNMPGARIW-UHFFFAOYSA-N
MW736.94 g/mol
LogP13.57
Rot. Bonds4

About 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]

5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (PubChem CID 149422626) has the molecular formula C51H36N4S and a molecular weight of 736.94 g/mol. Its IUPAC name is 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
PubChem CID149422626
Molecular FormulaC51H36N4S
Molecular Weight736.94 g/mol
Exact Mass736.27
IUPAC Name5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc4c(c3)sc3ccccc34)-c3ccccc3C53CCCCC3)n2)cc1
InChIInChI=1S/C51H36N4S/c1-4-14-32(15-5-1)48-52-49(33-16-6-2-7-17-33)54-50(53-48)34-22-25-44-40(28-34)41-30-43-39(36-18-8-10-20-42(36)51(43)26-12-3-13-27-51)31-45(41)55(44)35-23-24-38-37-19-9-11-21-46(37)56-47(38)29-35/h1-2,4-11,14-25,28-31H,3,12-13,26-27H2
InChIKeyYTLZXNNMPGARIW-UHFFFAOYSA-N
XLogP13.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.94
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5'-dibenzofuran-3-yl-2'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149154937
5'-dibenzothiophen-3-yl-9'-(9-dibenzothiophen-2-ylcarbazol-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 147500737
5-[3-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 169014751
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
5'-phenyl-2'-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947532
5'-dibenzofuran-3-yl-8'-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 149034875
11-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-[1]benzothiolo[3,2-b]carbazole
CID 90211229
9-[3-[4-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 138747312
3'-(9-dibenzofuran-3-ylcarbazol-2-yl)-5'-(4-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947376
5'-[3-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014969
5'-[3-[4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]spiro[cyclopentane-1,7'-indeno[2,1-b]carbazole]
CID 169014161
6-dibenzothiophen-3-yl-9-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 162705058

Frequently Asked Questions

What is the IUPAC name of 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] (CID 149422626) is 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccc4c(c3)sc3ccccc34)-c3ccccc3C53CCCCC3)n2)cc1.
What is the InChIKey of 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
The InChIKey is YTLZXNNMPGARIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4S/c1-4-14-32(15-5-1)48-52-49(33-16-6-2-7-17-33)54-50(53-48)34-22-25-44-40(28-34)41-30-43-39(36-18-8-10-20-42(36)51(43)26-12-3-13-27-51)31-45(41)55(44)35-23-24-38-37-19-9-11-21-46(37)56-47(38)29-35/h1-2,4-11,14-25,28-31H,3,12-13,26-27H2.
What are the key properties of 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]?
5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] has a molecular weight of 736.94 g/mol, XLogP of 13.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-dibenzothiophen-3-yl-2'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 149422626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).