1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene

C34H27ClS — CID 168803766

IUPAC1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
SMILESClc1ccc2c(c1)-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H27ClS/c35-24-9-11-29-28(18-24)26-10-8-21(25-5-3-7-32-33(25)27-4-1-2-6-31(27)36-32)17-30(26)34(29)22-13-19-12-20(15-22)16-23(34)14-19/h1-11,17-20,22-23H,12-16H2
InChIKeyARXBHKHZWRTLHY-UHFFFAOYSA-N
MW503.11 g/mol
LogP10.10
Rot. Bonds1

About 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene

1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene (PubChem CID 168803766) has the molecular formula C34H27ClS and a molecular weight of 503.11 g/mol. Its IUPAC name is 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene.

Molecular Properties

Compound Name1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
PubChem CID168803766
Molecular FormulaC34H27ClS
Molecular Weight503.11 g/mol
Exact Mass502.15
IUPAC Name1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
SMILESClc1ccc2c(c1)-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C34H27ClS/c35-24-9-11-29-28(18-24)26-10-8-21(25-5-3-7-32-33(25)27-4-1-2-6-31(27)36-32)17-30(26)34(29)22-13-19-12-20(15-22)16-23(34)14-19/h1-11,17-20,22-23H,12-16H2
InChIKeyARXBHKHZWRTLHY-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-(5'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene
CID 168803722
5-[4-(6'-dibenzothiophen-1-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]quinoline
CID 168803941
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
3-chloro-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophene
CID 168803759
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
2-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 168803912
1-(10-spiro[adamantane-2,11'-benzo[a]fluorene]-9'-ylanthracen-9-yl)dibenzothiophene
CID 168808709
N,N-di(spiro[adamantane-2,9'-fluorene]-3'-yl)dibenzothiophen-1-amine
CID 168722561
1-[(9,9-dimethylfluoren-1-yl)-(2-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)methyl]dibenzothiophene
CID 169013972
2'-chloro-7'-phenylspiro[adamantane-2,9'-fluorene]
CID 169099363
2-(6'-dibenzothiophen-2-ylspiro[adamantane-2,9'-fluorene]-2'-yl)-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 168803884
4-[3-(5'-dibenzothiophen-1-ylspiro[adamantane-2,9'-fluorene]-2'-yl)phenyl]dibenzofuran
CID 168803724

Frequently Asked Questions

What is the IUPAC name of 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The IUPAC name of 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene (CID 168803766) is 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene.
What is the SMILES notation for 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The canonical SMILES for 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene is Clc1ccc2c(c1)-c1ccc(-c3cccc4sc5ccccc5c34)cc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
The InChIKey is ARXBHKHZWRTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27ClS/c35-24-9-11-29-28(18-24)26-10-8-21(25-5-3-7-32-33(25)27-4-1-2-6-31(27)36-32)17-30(26)34(29)22-13-19-12-20(15-22)16-23(34)14-19/h1-11,17-20,22-23H,12-16H2.
What are the key properties of 1-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene?
1-(6'-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-(6'-chlorospiro[adamantane-2,9'-fluorene]-2'-yl)dibenzothiophene is sourced from PubChem (CID 168803766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).