1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene

C31H56 — CID 21304301

IUPAC1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene
SMILESCC1CC(C)C2(C)C(C)(C1C)C(C)C(C)C1C3CC(C)C(C)(C)C3(C)C(C)C(C)C12C
InChIInChI=1S/C31H56/c1-17-15-19(3)31(14)28(11,21(17)5)22(6)20(4)26-25-16-18(2)27(9,10)29(25,12)23(7)24(8)30(26,31)13/h17-26H,15-16H2,1-14H3
InChIKeyCFBWMNMKFFCKMK-UHFFFAOYSA-N
MW428.79 g/mol
LogP9.19
Rot. Bonds

About 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene

1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene (PubChem CID 21304301) has the molecular formula C31H56 and a molecular weight of 428.79 g/mol. Its IUPAC name is 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene.

Molecular Properties

Compound Name1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene
PubChem CID21304301
Molecular FormulaC31H56
Molecular Weight428.79 g/mol
Exact Mass428.44
IUPAC Name1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene
SMILESCC1CC(C)C2(C)C(C)(C1C)C(C)C(C)C1C3CC(C)C(C)(C)C3(C)C(C)C(C)C12C
InChIInChI=1S/C31H56/c1-17-15-19(3)31(14)28(11,21(17)5)22(6)20(4)26-25-16-18(2)27(9,10)29(25,12)23(7)24(8)30(26,31)13/h17-26H,15-16H2,1-14H3
InChIKeyCFBWMNMKFFCKMK-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.79
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene with MolForge

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Related Compounds

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2,3,4,5,11-pentamethylpentacyclo[8.2.1.02,9.03,8.04,7]tridecane
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1,2,3,6-tetramethylbicyclo[2.2.0]hexane
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1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-heptadecamethyl-2,3,4,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene;vanadium
CID 162022840
1,2,3,6-tetramethyl-2-propan-2-ylbicyclo[2.2.0]hexane
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(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
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4,5,6-trimethylspiro[bicyclo[2.2.0]hexane-3,1'-cyclopropane]-2-ol
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(1R,6S)-6-ethyl-3,5,7,10-tetramethyltetracyclo[4.4.1.01,4.05,8]undecane
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1,2,6,7,7-pentamethylbicyclo[3.2.0]heptane
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28-(1,2-dimethylcyclobutyl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,27,28,31-pentacosamethylpentacyclo[21.11.0.024,27.025,34.026,29]tetratriacontane
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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene?
The IUPAC name of 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene (CID 21304301) is 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene.
What is the SMILES notation for 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene?
The canonical SMILES for 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene is CC1CC(C)C2(C)C(C)(C1C)C(C)C(C)C1C3CC(C)C(C)(C)C3(C)C(C)C(C)C12C.
What is the InChIKey of 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene?
The InChIKey is CFBWMNMKFFCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H56/c1-17-15-19(3)31(14)28(11,21(17)5)22(6)20(4)26-25-16-18(2)27(9,10)29(25,12)23(7)24(8)30(26,31)13/h17-26H,15-16H2,1-14H3.
What are the key properties of 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene?
1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene has a molecular weight of 428.79 g/mol, XLogP of 9.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7,9,10,11,12,13,16,17,17-tetradecamethyl-1,2,3,4,6,7,8,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene is sourced from PubChem (CID 21304301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).