2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]

C28H21Cl — CID 138667036

IUPAC2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(Cl)cc32)c2ccccc21
InChIInChI=1S/C28H21Cl/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)21-10-4-3-9-19(21)20-16-15-18(29)17-26(20)28/h3-17H,1-2H3
InChIKeyXVCHJHYGMYDJJM-UHFFFAOYSA-N
MW392.93 g/mol
LogP7.34
Rot. Bonds

About 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]

2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] (PubChem CID 138667036) has the molecular formula C28H21Cl and a molecular weight of 392.93 g/mol. Its IUPAC name is 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene].

Molecular Properties

Compound Name2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
PubChem CID138667036
Molecular FormulaC28H21Cl
Molecular Weight392.93 g/mol
Exact Mass392.13
IUPAC Name2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccc(Cl)cc32)c2ccccc21
InChIInChI=1S/C28H21Cl/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)21-10-4-3-9-19(21)20-16-15-18(29)17-26(20)28/h3-17H,1-2H3
InChIKeyXVCHJHYGMYDJJM-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.93
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 102192841
CID 102192841
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
7'-chloro-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 154935196
2'-ethyl-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142481262
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
2-(4-chlorophenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130264027
2-chloro-11-N',11-N',17-N',17-N'-tetraphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130263577
7-chloro-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 154588610
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362

Frequently Asked Questions

What is the IUPAC name of 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The IUPAC name of 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] (CID 138667036) is 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene].
What is the SMILES notation for 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The canonical SMILES for 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] is CC1(C)c2ccccc2C2(c3ccccc3-c3ccc(Cl)cc32)c2ccccc21.
What is the InChIKey of 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The InChIKey is XVCHJHYGMYDJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl/c1-27(2)22-11-5-7-13-24(22)28(25-14-8-6-12-23(25)27)21-10-4-3-9-19(21)20-16-15-18(29)17-26(20)28/h3-17H,1-2H3.
What are the key properties of 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] has a molecular weight of 392.93 g/mol, XLogP of 7.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] is sourced from PubChem (CID 138667036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).