2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

C46H35NS — CID 164809995

IUPAC2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccc(-c5ccc6sc7ccccc7c6c5)cc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NS/c1-4-10-40-34(7-1)35-17-15-33(26-41(35)46(40)31-20-27-19-28(22-31)23-32(46)21-27)47-42-11-5-2-8-36(42)37-16-13-30(25-43(37)47)29-14-18-45-39(24-29)38-9-3-6-12-44(38)48-45/h1-18,24-28,31-32H,19-23H2
InChIKeyAKGCLCQZBFVKTO-UHFFFAOYSA-N
MW633.86 g/mol
LogP12.54
Rot. Bonds2

About 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole

2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (PubChem CID 164809995) has the molecular formula C46H35NS and a molecular weight of 633.86 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
PubChem CID164809995
Molecular FormulaC46H35NS
Molecular Weight633.86 g/mol
Exact Mass633.25
IUPAC Name2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
SMILESc1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccc(-c5ccc6sc7ccccc7c6c5)cc43)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H35NS/c1-4-10-40-34(7-1)35-17-15-33(26-41(35)46(40)31-20-27-19-28(22-31)23-32(46)21-27)47-42-11-5-2-8-36(42)37-16-13-30(25-43(37)47)29-14-18-45-39(24-29)38-9-3-6-12-44(38)48-45/h1-18,24-28,31-32H,19-23H2
InChIKeyAKGCLCQZBFVKTO-UHFFFAOYSA-N
XLogP12.54
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.86
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-2-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)carbazole
CID 164810223
2-(10-dibenzothiophen-2-ylanthracen-9-yl)-9-phenyl-7-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164819295
3-[9-(3-phenylphenyl)carbazol-2-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810005
2-dibenzothiophen-3-yl-9-(4-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-1-yl)carbazole
CID 164810146
9-(4-phenylphenyl)-2-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 156577007
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 155399719
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
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-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene;3-[4-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)phenyl]dibenzothiophene
CID 164970031
9-(7'-dibenzothiophen-2-yl-9,9'-spirobi[fluorene]-2'-yl)carbazole
CID 171736760
3-[9-(4-phenylnaphthalen-1-yl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810026
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The IUPAC name of 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole (CID 164809995) is 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole.
What is the SMILES notation for 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The canonical SMILES for 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is c1ccc2c(c1)-c1ccc(-n3c4ccccc4c4ccc(-c5ccc6sc7ccccc7c6c5)cc43)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
The InChIKey is AKGCLCQZBFVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35NS/c1-4-10-40-34(7-1)35-17-15-33(26-41(35)46(40)31-20-27-19-28(22-31)23-32(46)21-27)47-42-11-5-2-8-36(42)37-16-13-30(25-43(37)47)29-14-18-45-39(24-29)38-9-3-6-12-44(38)48-45/h1-18,24-28,31-32H,19-23H2.
What are the key properties of 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole?
2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole has a molecular weight of 633.86 g/mol, XLogP of 12.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole is sourced from PubChem (CID 164809995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).