2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]

C29H17Cl — CID 145144854

IUPAC2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESClc1ccc2ccc3c(c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C29H17Cl/c30-19-15-13-18-14-16-23-22-9-3-6-12-27(22)29(28(23)24(18)17-19)25-10-4-1-7-20(25)21-8-2-5-11-26(21)29/h1-17H
InChIKeyNQYYGUYSTGGFMC-UHFFFAOYSA-N
MW400.91 g/mol
LogP7.84
Rot. Bonds

About 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]

2-chlorospiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 145144854) has the molecular formula C29H17Cl and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID145144854
Molecular FormulaC29H17Cl
Molecular Weight400.91 g/mol
Exact Mass400.10
IUPAC Name2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESClc1ccc2ccc3c(c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-3
InChIInChI=1S/C29H17Cl/c30-19-15-13-18-14-16-23-22-9-3-6-12-27(22)29(28(23)24(18)17-19)25-10-4-1-7-20(25)21-8-2-5-11-26(21)29/h1-17H
InChIKeyNQYYGUYSTGGFMC-UHFFFAOYSA-N
XLogP7.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.91
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 102192841
CID 102192841
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
2'-chlorospiro[benzo[a]fluorene-11,9'-fluorene];4,4,5,5-tetramethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-yl-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158827379
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
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
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144911
2'-(4-bromophenyl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 134216060
2'-chloro-9,9-dimethylspiro[anthracene-10,9'-fluorene]
CID 138667036
7-chloro-1-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluorene
CID 171439038
1'-[3-(4-chlorophenyl)phenyl]-9,9'-spirobi[fluorene]
CID 156896822
1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139

Frequently Asked Questions

What is the IUPAC name of 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene] (CID 145144854) is 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene] is Clc1ccc2ccc3c(c2c1)C1(c2ccccc2-c2ccccc21)c1ccccc1-3.
What is the InChIKey of 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is NQYYGUYSTGGFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Cl/c30-19-15-13-18-14-16-23-22-9-3-6-12-27(22)29(28(23)24(18)17-19)25-10-4-1-7-20(25)21-8-2-5-11-26(21)29/h1-17H.
What are the key properties of 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene] has a molecular weight of 400.91 g/mol, XLogP of 7.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorospiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 145144854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).