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

C28H21Cl — CID 142567767

IUPAC1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Cl)c21
InChIInChI=1S/C28H21Cl/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3
InChIKeyXMIRCUTWZPOUTO-UHFFFAOYSA-N
MW392.93 g/mol
LogP7.34
Rot. Bonds

About 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]

1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] (PubChem CID 142567767) has the molecular formula C28H21Cl and a molecular weight of 392.93 g/mol. Its IUPAC name is 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene].

Molecular Properties

Compound Name1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
PubChem CID142567767
Molecular FormulaC28H21Cl
Molecular Weight392.93 g/mol
Exact Mass392.13
IUPAC Name1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
SMILESCC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Cl)c21
InChIInChI=1S/C28H21Cl/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3
InChIKeyXMIRCUTWZPOUTO-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

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Related Compounds

1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
1-chloro-9,9-dimethyl-10H-acridine
CID 151923654
4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine
CID 166995548
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 142504362
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 166906516
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
1-(4-chlorophenyl)-9,9-dimethylfluorene
CID 118193752

Frequently Asked Questions

What is the IUPAC name of 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The IUPAC name of 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] (CID 142567767) is 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene].
What is the SMILES notation for 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The canonical SMILES for 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] is CC1(C)c2ccccc2C2(c3ccccc3-c3ccccc32)c2cccc(Cl)c21.
What is the InChIKey of 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
The InChIKey is XMIRCUTWZPOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21Cl/c1-27(2)22-14-7-8-15-23(22)28(24-16-9-17-25(29)26(24)27)20-12-5-3-10-18(20)19-11-4-6-13-21(19)28/h3-17H,1-2H3.
What are the key properties of 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]?
1-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 1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene] is sourced from PubChem (CID 142567767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).