2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]

C33H22Cl2 — CID 137448750

IUPAC2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(Cl)ccc2-c2c(-c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C33H22Cl2/c1-19-6-13-25-26-14-7-20(2)17-30(26)33(29(25)16-19)28-5-3-4-24(21-8-10-22(34)11-9-21)32(28)27-15-12-23(35)18-31(27)33/h3-18H,1-2H3
InChIKeyCMKXJRKPQLQUHS-UHFFFAOYSA-N
MW489.45 g/mol
LogP9.62
Rot. Bonds1

About 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]

2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene] (PubChem CID 137448750) has the molecular formula C33H22Cl2 and a molecular weight of 489.45 g/mol. Its IUPAC name is 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
PubChem CID137448750
Molecular FormulaC33H22Cl2
Molecular Weight489.45 g/mol
Exact Mass488.11
IUPAC Name2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]
SMILESCc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(Cl)ccc2-c2c(-c3ccc(Cl)cc3)cccc21
InChIInChI=1S/C33H22Cl2/c1-19-6-13-25-26-14-7-20(2)17-30(26)33(29(25)16-19)28-5-3-4-24(21-8-10-22(34)11-9-21)32(28)27-15-12-23(35)18-31(27)33/h3-18H,1-2H3
InChIKeyCMKXJRKPQLQUHS-UHFFFAOYSA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134240897
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
CID 102192841
CID 102192841
CID 58607554
CID 58607554
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-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
5-[4-[4-(6-methylnaphthalen-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]-9,9-bis(4-methylphenyl)-2-naphthalen-2-ylfluorene
CID 123832328

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]?
The IUPAC name of 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene] (CID 137448750) is 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene] is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2cc(Cl)ccc2-c2c(-c3ccc(Cl)cc3)cccc21.
What is the InChIKey of 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]?
The InChIKey is CMKXJRKPQLQUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22Cl2/c1-19-6-13-25-26-14-7-20(2)17-30(26)33(29(25)16-19)28-5-3-4-24(21-8-10-22(34)11-9-21)32(28)27-15-12-23(35)18-31(27)33/h3-18H,1-2H3.
What are the key properties of 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]?
2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene] has a molecular weight of 489.45 g/mol, XLogP of 9.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-chlorophenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 137448750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).