7-chloro-11,11-dimethylbenzo[a]fluorene

C19H15Cl — CID 159699272

IUPAC7-chloro-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2cccc(Cl)c2-c2ccc3ccccc3c21
InChIInChI=1S/C19H15Cl/c1-19(2)15-8-5-9-16(20)17(15)14-11-10-12-6-3-4-7-13(12)18(14)19/h3-11H,1-2H3
InChIKeyQUZSXCBKWFTGKD-UHFFFAOYSA-N
MW278.78 g/mol
LogP5.80
Rot. Bonds

About 7-chloro-11,11-dimethylbenzo[a]fluorene

7-chloro-11,11-dimethylbenzo[a]fluorene (PubChem CID 159699272) has the molecular formula C19H15Cl and a molecular weight of 278.78 g/mol. Its IUPAC name is 7-chloro-11,11-dimethylbenzo[a]fluorene.

Molecular Properties

Compound Name7-chloro-11,11-dimethylbenzo[a]fluorene
PubChem CID159699272
Molecular FormulaC19H15Cl
Molecular Weight278.78 g/mol
Exact Mass278.09
IUPAC Name7-chloro-11,11-dimethylbenzo[a]fluorene
SMILESCC1(C)c2cccc(Cl)c2-c2ccc3ccccc3c21
InChIInChI=1S/C19H15Cl/c1-19(2)15-8-5-9-16(20)17(15)14-11-10-12-6-3-4-7-13(12)18(14)19/h3-11H,1-2H3
InChIKeyQUZSXCBKWFTGKD-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.78
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane
CID 90810570
17-chloro-12-[2-(17-chloro-12,12,22-trimethyl-22-hexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16(21),17,19-undecaenyl)ethyl]-12,22,22-trimethylhexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 138461848
25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 59742066
25,25-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(24),16,18,20,22-dodecaene;ethane;propane
CID 90957624
12,12-dimethyl-9-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 156524410
8-chloro-7,7-dimethyl-1-phenylbenzo[a]phenalene
CID 167232523
2-[4-(11,11-dimethylbenzo[a]fluoren-7-yl)naphthalen-1-yl]-4-naphthalen-1-yl-6-(2-phenylphenyl)pyrimidine
CID 168776769
3-(7-chloro-11-phenylbenzo[a]fluoren-11-yl)pyridine
CID 153406387
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 144670680

Frequently Asked Questions

What is the IUPAC name of 7-chloro-11,11-dimethylbenzo[a]fluorene?
The IUPAC name of 7-chloro-11,11-dimethylbenzo[a]fluorene (CID 159699272) is 7-chloro-11,11-dimethylbenzo[a]fluorene.
What is the SMILES notation for 7-chloro-11,11-dimethylbenzo[a]fluorene?
The canonical SMILES for 7-chloro-11,11-dimethylbenzo[a]fluorene is CC1(C)c2cccc(Cl)c2-c2ccc3ccccc3c21.
What is the InChIKey of 7-chloro-11,11-dimethylbenzo[a]fluorene?
The InChIKey is QUZSXCBKWFTGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl/c1-19(2)15-8-5-9-16(20)17(15)14-11-10-12-6-3-4-7-13(12)18(14)19/h3-11H,1-2H3.
What are the key properties of 7-chloro-11,11-dimethylbenzo[a]fluorene?
7-chloro-11,11-dimethylbenzo[a]fluorene has a molecular weight of 278.78 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-11,11-dimethylbenzo[a]fluorene is sourced from PubChem (CID 159699272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).