6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene

C25H34 — CID 91539590

IUPAC6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene
SMILESCCCCc1ccc2c(c1)-c1cccc(C)c1C(C)(CC)C2(C)CC
InChIInChI=1S/C25H34/c1-7-10-13-19-15-16-22-21(17-19)20-14-11-12-18(4)23(20)25(6,9-3)24(22,5)8-2/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeyXOISVXVBVPAYIX-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.35
Rot. Bonds5

About 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene

6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene (PubChem CID 91539590) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene.

Molecular Properties

Compound Name6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene
PubChem CID91539590
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene
SMILESCCCCc1ccc2c(c1)-c1cccc(C)c1C(C)(CC)C2(C)CC
InChIInChI=1S/C25H34/c1-7-10-13-19-15-16-22-21(17-19)20-14-11-12-18(4)23(20)25(6,9-3)24(22,5)8-2/h11-12,14-17H,7-10,13H2,1-6H3
InChIKeyXOISVXVBVPAYIX-UHFFFAOYSA-N
XLogP7.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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10-butyl-6,6,7-triethyl-3-fluoro-7-methylbenzo[a]quinolizin-5-ium
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10-butyl-6,7,7-triethyl-4-methyl-6H-benzo[a]quinolizin-5-ium
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6,7-diethyl-7-methyl-10-(2-methyl-5-pentylphenyl)-6-propylbenzo[a]quinolizin-5-ium
CID 123682053
5-butyl-1-(3-butylphenyl)-1,3,3-trimethyl-2H-indene
CID 139620883
2-(5-butyl-2-methylphenyl)-1-methylpyridin-1-ium
CID 167365680
9,9-bis[4-(4-butylphenyl)phenyl]-2,3,6,7-tetramethylfluorene
CID 123568014
4-butyl-2-methylphenol
CID 10964856
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
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CID 123514326

Frequently Asked Questions

What is the IUPAC name of 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene?
The IUPAC name of 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene (CID 91539590) is 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene.
What is the SMILES notation for 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene?
The canonical SMILES for 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene is CCCCc1ccc2c(c1)-c1cccc(C)c1C(C)(CC)C2(C)CC.
What is the InChIKey of 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene?
The InChIKey is XOISVXVBVPAYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-7-10-13-19-15-16-22-21(17-19)20-14-11-12-18(4)23(20)25(6,9-3)24(22,5)8-2/h11-12,14-17H,7-10,13H2,1-6H3.
What are the key properties of 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene?
6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene has a molecular weight of 334.55 g/mol, XLogP of 7.35, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-9,10-diethyl-1,9,10-trimethylphenanthrene is sourced from PubChem (CID 91539590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).