3,9,11,11-tetramethylbenzo[a]fluorene

C21H20 — CID 59806680

IUPAC3,9,11,11-tetramethylbenzo[a]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2cc(C)ccc12
InChIInChI=1S/C21H20/c1-13-5-8-16-15(11-13)7-10-18-17-9-6-14(2)12-19(17)21(3,4)20(16)18/h5-12H,1-4H3
InChIKeyUQPPFXVCOLLEND-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.76
Rot. Bonds

About 3,9,11,11-tetramethylbenzo[a]fluorene

3,9,11,11-tetramethylbenzo[a]fluorene (PubChem CID 59806680) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,9,11,11-tetramethylbenzo[a]fluorene.

Molecular Properties

Compound Name3,9,11,11-tetramethylbenzo[a]fluorene
PubChem CID59806680
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name3,9,11,11-tetramethylbenzo[a]fluorene
SMILESCc1ccc2c(c1)C(C)(C)c1c-2ccc2cc(C)ccc12
InChIInChI=1S/C21H20/c1-13-5-8-16-15(11-13)7-10-18-17-9-6-14(2)12-19(17)21(3,4)20(16)18/h5-12H,1-4H3
InChIKeyUQPPFXVCOLLEND-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,6,15,15,18-pentamethylhexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaen-3-amine
CID 139438660
7,10,19,28,31,31-hexamethylnonacyclo[18.15.0.02,18.05,17.06,14.08,13.021,33.024,32.025,30]pentatriaconta-1(20),2(18),3,5(17),6(14),8(13),9,11,15,21(33),22,24(32),25(30),26,28,34-hexadecaene-7,19-diamine
CID 139438661
2,7,9,9-tetramethylfluorene
CID 22951928
ethane;ethene;3,11,11-trimethylindeno[2,1-a]phenanthrene
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2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
2,6,9,9-tetramethylfluorene
CID 23527438
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CID 171742980
11,11-dimethylbenzo[a]fluoren-9-ol
CID 129259238
N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-(4-methylphenyl)benzo[a]fluoren-9-amine;N-(11,11-dimethylbenzo[a]fluoren-9-yl)-11,11-dimethyl-N-phenylbenzo[a]fluoren-9-amine;11,11-dimethyl-N,N-bis(4-phenylphenyl)benzo[a]fluoren-9-amine;11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[a]fluoren-9-amine
CID 160513135
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
11,11-dimethyl-9-naphthalen-2-ylbenzo[a]fluorene
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Frequently Asked Questions

What is the IUPAC name of 3,9,11,11-tetramethylbenzo[a]fluorene?
The IUPAC name of 3,9,11,11-tetramethylbenzo[a]fluorene (CID 59806680) is 3,9,11,11-tetramethylbenzo[a]fluorene.
What is the SMILES notation for 3,9,11,11-tetramethylbenzo[a]fluorene?
The canonical SMILES for 3,9,11,11-tetramethylbenzo[a]fluorene is Cc1ccc2c(c1)C(C)(C)c1c-2ccc2cc(C)ccc12.
What is the InChIKey of 3,9,11,11-tetramethylbenzo[a]fluorene?
The InChIKey is UQPPFXVCOLLEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-13-5-8-16-15(11-13)7-10-18-17-9-6-14(2)12-19(17)21(3,4)20(16)18/h5-12H,1-4H3.
What are the key properties of 3,9,11,11-tetramethylbenzo[a]fluorene?
3,9,11,11-tetramethylbenzo[a]fluorene has a molecular weight of 272.39 g/mol, XLogP of 5.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,11,11-tetramethylbenzo[a]fluorene is sourced from PubChem (CID 59806680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).