3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]

C27H23Cl — CID 170085615

IUPAC3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
SMILESClc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C21C2CC3CC(C2)C1C3
InChIInChI=1S/C27H23Cl/c28-20-9-10-23-22(15-20)26-21(17-5-2-1-3-6-17)7-4-8-24(26)27(23)19-12-16-11-18(14-19)25(27)13-16/h1-10,15-16,18-19,25H,11-14H2
InChIKeyBOHGRJBVDZTKQQ-UHFFFAOYSA-N
MW382.93 g/mol
LogP7.34
Rot. Bonds1

About 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]

3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane] (PubChem CID 170085615) has the molecular formula C27H23Cl and a molecular weight of 382.93 g/mol. Its IUPAC name is 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane].

Molecular Properties

Compound Name3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
PubChem CID170085615
Molecular FormulaC27H23Cl
Molecular Weight382.93 g/mol
Exact Mass382.15
IUPAC Name3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]
SMILESClc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C21C2CC3CC(C2)C1C3
InChIInChI=1S/C27H23Cl/c28-20-9-10-23-22(15-20)26-21(17-5-2-1-3-6-17)7-4-8-24(26)27(23)19-12-16-11-18(14-19)25(27)13-16/h1-10,15-16,18-19,25H,11-14H2
InChIKeyBOHGRJBVDZTKQQ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.93
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512
N-[4-(2-phenylphenyl)phenyl]spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-1-amine
CID 155407627
2-chlorospiro[fluorene-9,7'-tricyclo[4.3.1.03,8]decane]
CID 156577036
2-phenyl-4-(2-phenylphenyl)-6-(10-spiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-2-ylanthracen-9-yl)-1,3,5-triazine
CID 156577191
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
CID 170085474
N-[2-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407242
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456
N-[4-(2-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-amine
CID 155407260
2-phenyl-4-(2-phenylphenyl)-6-[2-(4-spiro[adamantane-2,11'-benzo[b]fluorene]-4'-ylphenyl)phenyl]pyrimidine
CID 176793720
2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164819010
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164969449
N-(9,9-dimethylfluoren-2-yl)-5'-phenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 170085165

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]?
The IUPAC name of 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane] (CID 170085615) is 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane].
What is the SMILES notation for 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]?
The canonical SMILES for 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane] is Clc1ccc2c(c1)-c1c(-c3ccccc3)cccc1C21C2CC3CC(C2)C1C3.
What is the InChIKey of 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]?
The InChIKey is BOHGRJBVDZTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl/c28-20-9-10-23-22(15-20)26-21(17-5-2-1-3-6-17)7-4-8-24(26)27(23)19-12-16-11-18(14-19)25(27)13-16/h1-10,15-16,18-19,25H,11-14H2.
What are the key properties of 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]?
3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane] has a molecular weight of 382.93 g/mol, XLogP of 7.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane] is sourced from PubChem (CID 170085615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).