11,11-dimethylindeno[2,1-a]phenanthrene;ethane

C25H24 — CID 144670680

IUPAC11,11-dimethylindeno[2,1-a]phenanthrene;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C23H18.C2H6/c1-23(2)21-10-6-5-9-18(21)20-14-13-17-16-8-4-3-7-15(16)11-12-19(17)22(20)23;1-2/h3-14H,1-2H3;1-2H3
InChIKeyGAWSWKAWKGAIOE-UHFFFAOYSA-N
MW324.47 g/mol
LogP7.33
Rot. Bonds

About 11,11-dimethylindeno[2,1-a]phenanthrene;ethane

11,11-dimethylindeno[2,1-a]phenanthrene;ethane (PubChem CID 144670680) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 11,11-dimethylindeno[2,1-a]phenanthrene;ethane.

Molecular Properties

Compound Name11,11-dimethylindeno[2,1-a]phenanthrene;ethane
PubChem CID144670680
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name11,11-dimethylindeno[2,1-a]phenanthrene;ethane
SMILESCC.CC1(C)c2ccccc2-c2ccc3c(ccc4ccccc43)c21
InChIInChI=1S/C23H18.C2H6/c1-23(2)21-10-6-5-9-18(21)20-14-13-17-16-8-4-3-7-15(16)11-12-19(17)22(20)23;1-2/h3-14H,1-2H3;1-2H3
InChIKeyGAWSWKAWKGAIOE-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

11,11-dimethylindeno[2,1-a]phenanthrene;ethane
CID 91470717
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
ethane;ethene;3,11,11-trimethylindeno[2,1-a]phenanthrene
CID 144670692
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
9,9-dimethyl-1-naphthalen-1-ylfluorene
CID 144938636
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
anthracene;chrysene;21,21-dimethylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene;phenanthrene;picene;pyrene;tetracene
CID 160670506
20,20-dimethylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14,16,18,21,23-dodecaene
CID 123610165
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]chrysene
CID 140710683
5-(9,9-dimethylfluoren-1-yl)benzo[c]phenanthrene
CID 140710620
3-[3,5-bis(9,9-dimethylfluoren-1-yl)phenyl]phenanthrene
CID 123769360
3-[7-(9,9-dimethylfluoren-2-yl)phenanthren-2-yl]chrysene
CID 123737415

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethylindeno[2,1-a]phenanthrene;ethane?
The IUPAC name of 11,11-dimethylindeno[2,1-a]phenanthrene;ethane (CID 144670680) is 11,11-dimethylindeno[2,1-a]phenanthrene;ethane.
What is the SMILES notation for 11,11-dimethylindeno[2,1-a]phenanthrene;ethane?
The canonical SMILES for 11,11-dimethylindeno[2,1-a]phenanthrene;ethane is CC.CC1(C)c2ccccc2-c2ccc3c(ccc4ccccc43)c21.
What is the InChIKey of 11,11-dimethylindeno[2,1-a]phenanthrene;ethane?
The InChIKey is GAWSWKAWKGAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18.C2H6/c1-23(2)21-10-6-5-9-18(21)20-14-13-17-16-8-4-3-7-15(16)11-12-19(17)22(20)23;1-2/h3-14H,1-2H3;1-2H3.
What are the key properties of 11,11-dimethylindeno[2,1-a]phenanthrene;ethane?
11,11-dimethylindeno[2,1-a]phenanthrene;ethane has a molecular weight of 324.47 g/mol, XLogP of 7.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethylindeno[2,1-a]phenanthrene;ethane is sourced from PubChem (CID 144670680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).