4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole

C144H110N4S2 — CID 165008355

IUPAC4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)cccc43)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5cccc6sc7ccccc7c56)cccc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H40N2.2C46H35NS/c1-2-11-38(12-3-1)53-46-18-8-5-13-39(46)42-30-34(21-23-48(42)53)35-22-24-49-43(31-35)40-14-6-9-19-47(40)54(49)50-20-10-17-45-51(50)41-15-4-7-16-44(41)52(45)36-26-32-25-33(28-36)29-37(52)27-32;1-4-14-38-32(9-1)33-20-19-31(26-39(33)46(38)29-22-27-21-28(24-29)25-30(46)23-27)47-40-15-5-2-10-36(40)44-34(12-7-16-41(44)47)35-13-8-18-43-45(35)37-11-3-6-17-42(37)48-43;1-4-12-39-34(8-1)35-18-17-32(26-40(35)46(39)30-21-27-20-28(23-30)24-31(46)22-27)47-41-13-5-2-10-37(41)45-33(11-7-14-42(45)47)29-16-19-44-38(25-29)36-9-3-6-15-43(36)48-44/h1-24,30-33,36-37H,25-29H2;1-20,26-30H,21-25H2;1-19,25-28,30-31H,20-24H2
InChIKeyJHTOSUKVGXJRJJ-UHFFFAOYSA-N
MW1960.63 g/mol
LogP38.35
Rot. Bonds7

About 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole

4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole (PubChem CID 165008355) has the molecular formula C144H110N4S2 and a molecular weight of 1960.63 g/mol. Its IUPAC name is 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole.

Molecular Properties

Compound Name4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
PubChem CID165008355
Molecular FormulaC144H110N4S2
Molecular Weight1960.63 g/mol
Exact Mass1958.82
IUPAC Name4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)cccc43)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5cccc6sc7ccccc7c56)cccc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C52H40N2.2C46H35NS/c1-2-11-38(12-3-1)53-46-18-8-5-13-39(46)42-30-34(21-23-48(42)53)35-22-24-49-43(31-35)40-14-6-9-19-47(40)54(49)50-20-10-17-45-51(50)41-15-4-7-16-44(41)52(45)36-26-32-25-33(28-36)29-37(52)27-32;1-4-14-38-32(9-1)33-20-19-31(26-39(33)46(38)29-22-27-21-28(24-29)25-30(46)23-27)47-40-15-5-2-10-36(40)44-34(12-7-16-41(44)47)35-13-8-18-43-45(35)37-11-3-6-17-42(37)48-43;1-4-12-39-34(8-1)35-18-17-32(26-40(35)46(39)30-21-27-20-28(23-30)24-31(46)22-27)47-41-13-5-2-10-37(41)45-33(11-7-14-42(45)47)29-16-19-44-38(25-29)36-9-3-6-15-43(36)48-44/h1-24,30-33,36-37H,25-29H2;1-20,26-30H,21-25H2;1-19,25-28,30-31H,20-24H2
InChIKeyJHTOSUKVGXJRJJ-UHFFFAOYSA-N
XLogP38.35
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001960.63
LogP ≤ 538.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164809995
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-[9-(3-phenylphenyl)carbazol-4-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164952773
2-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164819295
2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
CID 164810223
4-[7-[8-(5-carbazol-9-yl-9,9-dimethylfluoren-2-yl)dibenzothiophen-2-yl]-9,9-dimethylfluoren-4-yl]-9-phenylcarbazole
CID 118262649
4-(9-dibenzothiophen-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 121244792
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
3-(9-quinolin-8-ylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810027
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192

Frequently Asked Questions

What is the IUPAC name of 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The IUPAC name of 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole (CID 165008355) is 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole.
What is the SMILES notation for 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The canonical SMILES for 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4-c4ccccc4C54C5CC6CC(C5)CC4C6)ccc32)cc1.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5ccc6sc7ccccc7c6c5)cccc43)cc1C21C2CC3CC(C2)CC1C3.c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4c(-c5cccc6sc7ccccc7c56)cccc43)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
The InChIKey is JHTOSUKVGXJRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N2.2C46H35NS/c1-2-11-38(12-3-1)53-46-18-8-5-13-39(46)42-30-34(21-23-48(42)53)35-22-24-49-43(31-35)40-14-6-9-19-47(40)54(49)50-20-10-17-45-51(50)41-15-4-7-16-44(41)52(45)36-26-32-25-33(28-36)29-37(52)27-32;1-4-14-38-32(9-1)33-20-19-31(26-39(33)46(38)29-22-27-21-28(24-29)25-30(46)23-27)47-40-15-5-2-10-36(40)44-34(12-7-16-41(44)47)35-13-8-18-43-45(35)37-11-3-6-17-42(37)48-43;1-4-12-39-34(8-1)35-18-17-32(26-40(35)46(39)30-21-27-20-28(23-30)24-31(46)22-27)47-41-13-5-2-10-37(41)45-33(11-7-14-42(45)47)29-16-19-44-38(25-29)36-9-3-6-15-43(36)48-44/h1-24,30-33,36-37H,25-29H2;1-20,26-30H,21-25H2;1-19,25-28,30-31H,20-24H2.
What are the key properties of 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole?
4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole has a molecular weight of 1960.63 g/mol, XLogP of 38.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzothiophen-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;4-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;3-(9-phenylcarbazol-3-yl)-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole is sourced from PubChem (CID 165008355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).