12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]

C148H111N9OS — CID 165073763

IUPAC12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C64C5CC6CC(C5)CC4C6)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53C4CC5CC(C4)CC3C5)n2)cc1.c1ccc2c(c1)-c1c(ccc3c4ccccc4n(-c4ccc5cc(-c6cccc7c6sc6ccccc67)ccc5c4)c13)C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C55H40N4O.C50H37NS.C43H34N4/c1-2-12-34(13-3-1)52-56-53(58-54(57-52)44-20-11-19-42-40-17-6-9-23-48(40)60-51(42)44)35-14-10-15-38(31-35)59-47-22-8-5-16-39(47)41-24-25-46-49(50(41)59)43-18-4-7-21-45(43)55(46)36-27-32-26-33(29-36)30-37(55)28-32;1-4-13-43-42(10-1)47-44(50(43)34-23-29-22-30(25-34)26-35(50)24-29)21-20-40-38-8-2-5-14-45(38)51(48(40)47)36-19-18-31-27-33(17-16-32(31)28-36)37-11-7-12-41-39-9-3-6-15-46(39)52-49(37)41;1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)47-37-18-10-8-15-32(37)33-19-20-36-38(39(33)47)34-16-7-9-17-35(34)43(36)30-22-26-21-27(24-30)25-31(43)23-26/h1-25,31-33,36-37H,26-30H2;1-21,27-30,34-35H,22-26H2;1-20,26-27,30-31H,21-25H2
InChIKeyTYQJFHHLLZIIIA-UHFFFAOYSA-N
MW2063.64 g/mol
LogP37.31
Rot. Bonds9

About 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]

12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] (PubChem CID 165073763) has the molecular formula C148H111N9OS and a molecular weight of 2063.64 g/mol. Its IUPAC name is 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole].

Molecular Properties

Compound Name12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]
PubChem CID165073763
Molecular FormulaC148H111N9OS
Molecular Weight2063.64 g/mol
Exact Mass2061.86
IUPAC Name12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]
SMILESc1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C64C5CC6CC(C5)CC4C6)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53C4CC5CC(C4)CC3C5)n2)cc1.c1ccc2c(c1)-c1c(ccc3c4ccccc4n(-c4ccc5cc(-c6cccc7c6sc6ccccc67)ccc5c4)c13)C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C55H40N4O.C50H37NS.C43H34N4/c1-2-12-34(13-3-1)52-56-53(58-54(57-52)44-20-11-19-42-40-17-6-9-23-48(40)60-51(42)44)35-14-10-15-38(31-35)59-47-22-8-5-16-39(47)41-24-25-46-49(50(41)59)43-18-4-7-21-45(43)55(46)36-27-32-26-33(29-36)30-37(55)28-32;1-4-13-43-42(10-1)47-44(50(43)34-23-29-22-30(25-34)26-35(50)24-29)21-20-40-38-8-2-5-14-45(38)51(48(40)47)36-19-18-31-27-33(17-16-32(31)28-36)37-11-7-12-41-39-9-3-6-15-46(39)52-49(37)41;1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)47-37-18-10-8-15-32(37)33-19-20-36-38(39(33)47)34-16-7-9-17-35(34)43(36)30-22-26-21-27(24-30)25-31(43)23-26/h1-25,31-33,36-37H,26-30H2;1-21,27-30,34-35H,22-26H2;1-20,26-27,30-31H,21-25H2
InChIKeyTYQJFHHLLZIIIA-UHFFFAOYSA-N
XLogP37.31
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002063.64
LogP ≤ 537.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] with MolForge

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Related Compounds

12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole
CID 164993637
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;12-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[1,2-a]carbazole;7,7-dimethyl-12-(3-phenylquinoxalin-2-yl)indeno[1,2-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-2-phenylindeno[1,2-a]carbazole
CID 162130681
2,4-di(dibenzofuran-4-yl)-6-(7'-dibenzothiophen-4-ylspiro[adamantane-2,9'-fluorene]-3'-yl)-1,3,5-triazine
CID 168803803
12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
12-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014822
3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165034164
2-dibenzofuran-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;2,4-diphenyl-6-[3-(9-thiapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-18-yl)phenyl]-1,3,5-triazine;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 159387816
12'-[4-dibenzothiophen-1-yl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 166875241
12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165462
3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline;3-[4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-[1]benzofuro[3,2-c]quinoline
CID 158087243
12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 157438203
2-[9-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole
CID 168768047

Frequently Asked Questions

What is the IUPAC name of 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]?
The IUPAC name of 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] (CID 165073763) is 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole].
What is the SMILES notation for 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]?
The canonical SMILES for 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] is c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)-c4ccccc4C64C5CC6CC(C5)CC4C6)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C53C4CC5CC(C4)CC3C5)n2)cc1.c1ccc2c(c1)-c1c(ccc3c4ccccc4n(-c4ccc5cc(-c6cccc7c6sc6ccccc67)ccc5c4)c13)C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]?
The InChIKey is TYQJFHHLLZIIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N4O.C50H37NS.C43H34N4/c1-2-12-34(13-3-1)52-56-53(58-54(57-52)44-20-11-19-42-40-17-6-9-23-48(40)60-51(42)44)35-14-10-15-38(31-35)59-47-22-8-5-16-39(47)41-24-25-46-49(50(41)59)43-18-4-7-21-45(43)55(46)36-27-32-26-33(29-36)30-37(55)28-32;1-4-13-43-42(10-1)47-44(50(43)34-23-29-22-30(25-34)26-35(50)24-29)21-20-40-38-8-2-5-14-45(38)51(48(40)47)36-19-18-31-27-33(17-16-32(31)28-36)37-11-7-12-41-39-9-3-6-15-46(39)52-49(37)41;1-3-11-28(12-4-1)40-44-41(29-13-5-2-6-14-29)46-42(45-40)47-37-18-10-8-15-32(37)33-19-20-36-38(39(33)47)34-16-7-9-17-35(34)43(36)30-22-26-21-27(24-30)25-31(43)23-26/h1-25,31-33,36-37H,26-30H2;1-21,27-30,34-35H,22-26H2;1-20,26-27,30-31H,21-25H2.
What are the key properties of 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole]?
12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] has a molecular weight of 2063.64 g/mol, XLogP of 37.31, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 12'-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(6-dibenzothiophen-4-ylnaphthalen-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole];12'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[adamantane-2,7'-indeno[1,2-a]carbazole] is sourced from PubChem (CID 165073763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).