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

C29H17Cl — CID 145144911

IUPAC5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESClc1cc2c(c3ccccc13)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H17Cl/c30-27-17-23-20-11-5-8-16-26(20)29(28(23)22-13-2-1-12-21(22)27)24-14-6-3-9-18(24)19-10-4-7-15-25(19)29/h1-17H
InChIKeyXYSBAXVPHWTNLI-UHFFFAOYSA-N
MW400.91 g/mol
LogP7.84
Rot. Bonds

About 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]

5-chlorospiro[benzo[a]fluorene-11,9'-fluorene] (PubChem CID 145144911) has the molecular formula C29H17Cl and a molecular weight of 400.91 g/mol. Its IUPAC name is 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene].

Molecular Properties

Compound Name5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
PubChem CID145144911
Molecular FormulaC29H17Cl
Molecular Weight400.91 g/mol
Exact Mass400.10
IUPAC Name5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
SMILESClc1cc2c(c3ccccc13)C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C29H17Cl/c30-27-17-23-20-11-5-8-16-26(20)29(28(23)22-13-2-1-12-21(22)27)24-14-6-3-9-18(24)19-10-4-7-15-25(19)29/h1-17H
InChIKeyXYSBAXVPHWTNLI-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

1-(2-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380139
8-chlorospiro[benzo[c]fluorene-7,9'-fluorene]
CID 165158278
2-chlorospiro[benzo[a]fluorene-11,9'-fluorene]
CID 145144854
spiro[fluorene-9,16'-heptacyclo[15.12.0.02,15.03,8.09,14.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene]
CID 155624644
5-chloro-9-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 134240897
1-(3,5-dichlorophenyl)-9,9'-spirobi[fluorene]
CID 156896575
9-(9-phenylfluoren-9-yl)anthracene
CID 174477278
9-[3-[3-(4-chloronaphthalen-1-yl)phenyl]phenyl]-9-phenylfluorene
CID 169292907
9,9-dinaphthalen-1-ylfluorene
CID 140680296
1'-(3-chlorophenyl)-9,9'-spirobi[fluorene]
CID 130380122
CID 129022952
CID 129022952
1',3'-dimethyl-9,9'-spirobi[fluorene]
CID 169054935

Frequently Asked Questions

What is the IUPAC name of 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The IUPAC name of 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene] (CID 145144911) is 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene].
What is the SMILES notation for 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The canonical SMILES for 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene] is Clc1cc2c(c3ccccc13)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
The InChIKey is XYSBAXVPHWTNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Cl/c30-27-17-23-20-11-5-8-16-26(20)29(28(23)22-13-2-1-12-21(22)27)24-14-6-3-9-18(24)19-10-4-7-15-25(19)29/h1-17H.
What are the key properties of 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene]?
5-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 5-chlorospiro[benzo[a]fluorene-11,9'-fluorene] is sourced from PubChem (CID 145144911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).