5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]

C30H19Cl — CID 134240897

IUPAC5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)c3ccccc3c1-2
InChIInChI=1S/C30H19Cl/c1-18-14-15-23-26(16-18)30(27-17-28(31)21-10-2-3-11-22(21)29(23)27)24-12-6-4-8-19(24)20-9-5-7-13-25(20)30/h2-17H,1H3
InChIKeyBMUJBYPKKFMFIJ-UHFFFAOYSA-N
MW414.94 g/mol
LogP8.15
Rot. Bonds

About 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]

5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene] (PubChem CID 134240897) has the molecular formula C30H19Cl and a molecular weight of 414.94 g/mol. Its IUPAC name is 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
PubChem CID134240897
Molecular FormulaC30H19Cl
Molecular Weight414.94 g/mol
Exact Mass414.12
IUPAC Name5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
SMILESCc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)c3ccccc3c1-2
InChIInChI=1S/C30H19Cl/c1-18-14-15-23-26(16-18)30(27-17-28(31)21-10-2-3-11-22(21)29(23)27)24-12-6-4-8-19(24)20-9-5-7-13-25(20)30/h2-17H,1H3
InChIKeyBMUJBYPKKFMFIJ-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.94
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
CID 58607554
CID 58607554
2,6-dimethyl-9,9'-spirobi[fluorene];3,3'-dimethyl-9,9'-spirobi[fluorene];ethane
CID 159071810
2',9,9-trimethylspiro[anthracene-10,9'-fluorene]
CID 142504500
9',17'-dimethylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 160896143
2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
CID 137448750
CID 145291896
CID 145291896
4-(5-chloro-7-phenylbenzo[c]fluoren-7-yl)pyridine
CID 153406376
5-bromo-9-methyl-7,7-diphenylbenzo[c]fluorene
CID 142714191
methane;2-methyl-9,9-diphenylfluorene
CID 144583572
3,4'-dimethyl-9,9'-spirobi[fluorene]
CID 145204038

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene] (CID 134240897) is 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene] is Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(Cl)c3ccccc3c1-2.
What is the InChIKey of 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
The InChIKey is BMUJBYPKKFMFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Cl/c1-18-14-15-23-26(16-18)30(27-17-28(31)21-10-2-3-11-22(21)29(23)27)24-12-6-4-8-19(24)20-9-5-7-13-25(20)30/h2-17H,1H3.
What are the key properties of 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]?
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene] has a molecular weight of 414.94 g/mol, XLogP of 8.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 134240897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).