1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene

C34H27ClS — CID 168803722

IUPAC1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
SMILESClc1cccc2c1-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H27ClS/c35-29-8-4-7-27-33(29)25-12-11-21(24-6-3-10-31-32(24)26-5-1-2-9-30(26)36-31)18-28(25)34(27)22-14-19-13-20(16-22)17-23(34)15-19/h1-12,18-20,22-23H,13-17H2
InChIKeyAANNMQCQPHSLHM-UHFFFAOYSA-N
MW503.11 g/mol
LogP10.10
Rot. Bonds1

About 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene

1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene (PubChem CID 168803722) has the molecular formula C34H27ClS and a molecular weight of 503.11 g/mol. Its IUPAC name is 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
PubChem CID168803722
Molecular FormulaC34H27ClS
Molecular Weight503.11 g/mol
Exact Mass502.15
IUPAC Name1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
SMILESClc1cccc2c1-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H27ClS/c35-29-8-4-7-27-33(29)25-12-11-21(24-6-3-10-31-32(24)26-5-1-2-9-30(26)36-31)18-28(25)34(27)22-14-19-13-20(16-22)17-23(34)15-19/h1-12,18-20,22-23H,13-17H2
InChIKeyAANNMQCQPHSLHM-UHFFFAOYSA-N
XLogP10.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.11
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803766
5'-chloro-2'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099361
4-[3-(5'-dibenzothiophen-1-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]dibenzofuran
CID 168803724
1-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808709
5-[4-(6'-dibenzothiophen-1-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]quinoline
CID 168803941
1-[(9,9-dimethylfluoren-1-yl)-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)methyl]dibenzothiophene
CID 169013972
1-methyl-15-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-6-thiaheptacyclo[14.10.1.02,14.05,13.07,12.020,27.021,26]heptacosa-2(14),3,5(13),7,9,11,16,18,20(27),21,23,25-dodecaene
CID 170104184
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
4-[7'-[3-(9-phenylfluoren-9-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]dibenzothiophene
CID 168803836
2-(3-dibenzothiophen-1-ylphenyl)-4-[5'-(4-isocyanophenyl)spiro[adamantane-2,9'-fluorene]-3'-yl]-6-phenylpyridine
CID 168798656
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
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

Frequently Asked Questions

What is the IUPAC name of 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The IUPAC name of 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene (CID 168803722) is 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene.
What is the SMILES notation for 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The canonical SMILES for 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene is Clc1cccc2c1-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The InChIKey is AANNMQCQPHSLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27ClS/c35-29-8-4-7-27-33(29)25-12-11-21(24-6-3-10-31-32(24)26-5-1-2-9-30(26)36-31)18-28(25)34(27)22-14-19-13-20(16-22)17-23(34)15-19/h1-12,18-20,22-23H,13-17H2.
What are the key properties of 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene has a molecular weight of 503.11 g/mol, XLogP of 10.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene is sourced from PubChem (CID 168803722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).