(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]

C29H21Cl — CID 166906516

IUPAC(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]
SMILESCc1c(Cl)ccc2c1[C@]1(C3=C(C=C=C=C3)C(C)(C)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H21Cl/c1-18-26(30)17-16-20-19-10-4-5-11-21(19)29(27(18)20)24-14-8-6-12-22(24)28(2,3)23-13-7-9-15-25(23)29/h4-6,8,10-17H,1-3H3/t29-/m1/s1
InChIKeyYTAIQUBQPBNUKU-GDLZYMKVSA-N
MW404.94 g/mol
LogP7.43
Rot. Bonds

About (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]

(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] (PubChem CID 166906516) has the molecular formula C29H21Cl and a molecular weight of 404.94 g/mol. Its IUPAC name is (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene].

Molecular Properties

Compound Name(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]
PubChem CID166906516
Molecular FormulaC29H21Cl
Molecular Weight404.94 g/mol
Exact Mass404.13
IUPAC Name(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]
SMILESCc1c(Cl)ccc2c1[C@]1(C3=C(C=C=C=C3)C(C)(C)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H21Cl/c1-18-26(30)17-16-20-19-10-4-5-11-21(19)29(27(18)20)24-14-8-6-12-22(24)28(2,3)23-13-7-9-15-25(23)29/h4-6,8,10-17H,1-3H3/t29-/m1/s1
InChIKeyYTAIQUBQPBNUKU-GDLZYMKVSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] with MolForge

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Related Compounds

1-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567767
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
2-(9,9-dimethylfluoren-1-yl)-9,9'-spirobi[fluorene]-1-amine
CID 175695461
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
1-bromo-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 142567703
4',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504465
4-chloro-1,8-bis(9,9-dimethylfluoren-1-yl)pyrene
CID 162349670
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
ethane;9,9'-spirobi[fluorene];2,4,6-trimethyl-1,3,5-triazine
CID 161386785

Frequently Asked Questions

What is the IUPAC name of (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]?
The IUPAC name of (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] (CID 166906516) is (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene].
What is the SMILES notation for (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]?
The canonical SMILES for (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] is Cc1c(Cl)ccc2c1[C@]1(C3=C(C=C=C=C3)C(C)(C)c3ccccc31)c1ccccc1-2.
What is the InChIKey of (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]?
The InChIKey is YTAIQUBQPBNUKU-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H21Cl/c1-18-26(30)17-16-20-19-10-4-5-11-21(19)29(27(18)20)24-14-8-6-12-22(24)28(2,3)23-13-7-9-15-25(23)29/h4-6,8,10-17H,1-3H3/t29-/m1/s1.
What are the key properties of (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene]?
(10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] has a molecular weight of 404.94 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-2'-chloro-1',9,9-trimethylspiro[anthracene-10,9'-fluorene] is sourced from PubChem (CID 166906516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).