11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]

C35H22Cl2 — CID 134298783

IUPAC11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
SMILESClc1ccc(-c2cccc3c2C2=C(CCc4ccccc42)C32c3ccccc3-c3ccccc32)c(Cl)c1
InChIInChI=1S/C35H22Cl2/c36-22-17-18-26(32(37)20-22)27-12-7-15-30-34(27)33-23-9-2-1-8-21(23)16-19-31(33)35(30)28-13-5-3-10-24(28)25-11-4-6-14-29(25)35/h1-15,17-18,20H,16,19H2
InChIKeyXCHWIPICLIRTRK-UHFFFAOYSA-N
MW513.47 g/mol
LogP9.74
Rot. Bonds1

About 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]

11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] (PubChem CID 134298783) has the molecular formula C35H22Cl2 and a molecular weight of 513.47 g/mol. Its IUPAC name is 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene].

Molecular Properties

Compound Name11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
PubChem CID134298783
Molecular FormulaC35H22Cl2
Molecular Weight513.47 g/mol
Exact Mass512.11
IUPAC Name11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
SMILESClc1ccc(-c2cccc3c2C2=C(CCc4ccccc42)C32c3ccccc3-c3ccccc32)c(Cl)c1
InChIInChI=1S/C35H22Cl2/c36-22-17-18-26(32(37)20-22)27-12-7-15-30-34(27)33-23-9-2-1-8-21(23)16-19-31(33)35(30)28-13-5-3-10-24(28)25-11-4-6-14-29(25)35/h1-15,17-18,20H,16,19H2
InChIKeyXCHWIPICLIRTRK-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.47
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] with MolForge

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Related Compounds

9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
3-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 155407262
3-[6-(2,4-dichlorophenyl)-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
CID 176863835
2'-chloro-5'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 137448777
CID 102192841
CID 102192841
4'-[2-(3-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156524901
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
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
2-chlorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]
CID 130260395
2-[(2,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 711408

Frequently Asked Questions

What is the IUPAC name of 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]?
The IUPAC name of 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] (CID 134298783) is 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene].
What is the SMILES notation for 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]?
The canonical SMILES for 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] is Clc1ccc(-c2cccc3c2C2=C(CCc4ccccc42)C32c3ccccc3-c3ccccc32)c(Cl)c1.
What is the InChIKey of 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]?
The InChIKey is XCHWIPICLIRTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22Cl2/c36-22-17-18-26(32(37)20-22)27-12-7-15-30-34(27)33-23-9-2-1-8-21(23)16-19-31(33)35(30)28-13-5-3-10-24(28)25-11-4-6-14-29(25)35/h1-15,17-18,20H,16,19H2.
What are the key properties of 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]?
11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] has a molecular weight of 513.47 g/mol, XLogP of 9.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,4-dichlorophenyl)spiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene] is sourced from PubChem (CID 134298783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).