2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene

C40H56 — CID 159704202

IUPAC2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene
SMILESCC1=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCCC(C)=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCC1
InChIInChI=1S/C40H56/c1-25(2)39-35-21-15-22-36(39)32(10)28(6)18-14-20-30(8)34(12)38-24-16-23-37(40(38)26(3)4)33(11)29(7)19-13-17-27(5)31(35)9/h15-16,21-26H,13-14,17-20H2,1-12H3
InChIKeyAMRYULQOAMJTIE-UHFFFAOYSA-N
MW536.89 g/mol
LogP13.16
Rot. Bonds2

About 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene

2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene (PubChem CID 159704202) has the molecular formula C40H56 and a molecular weight of 536.89 g/mol. Its IUPAC name is 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene.

Molecular Properties

Compound Name2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene
PubChem CID159704202
Molecular FormulaC40H56
Molecular Weight536.89 g/mol
Exact Mass536.44
IUPAC Name2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene
SMILESCC1=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCCC(C)=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCC1
InChIInChI=1S/C40H56/c1-25(2)39-35-21-15-22-36(39)32(10)28(6)18-14-20-30(8)34(12)38-24-16-23-37(40(38)26(3)4)33(11)29(7)19-13-17-27(5)31(35)9/h15-16,21-26H,13-14,17-20H2,1-12H3
InChIKeyAMRYULQOAMJTIE-UHFFFAOYSA-N
XLogP13.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.89
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene with MolForge

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Related Compounds

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CID 140664566
deuteriomethane;1,3-dimethyl-2-propan-2-ylbenzene;ethane
CID 158876581
azane;2,3-di(propan-2-yl)bicyclo[2.2.0]hexa-1,3,5-triene
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1,3-dichloro-2-propan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene?
The IUPAC name of 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene (CID 159704202) is 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene.
What is the SMILES notation for 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene?
The canonical SMILES for 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene is CC1=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCCC(C)=C(C)c2cccc(c2C(C)C)C(C)=C(C)CCC1.
What is the InChIKey of 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene?
The InChIKey is AMRYULQOAMJTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H56/c1-25(2)39-35-21-15-22-36(39)32(10)28(6)18-14-20-30(8)34(12)38-24-16-23-37(40(38)26(3)4)33(11)29(7)19-13-17-27(5)31(35)9/h15-16,21-26H,13-14,17-20H2,1-12H3.
What are the key properties of 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene?
2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene has a molecular weight of 536.89 g/mol, XLogP of 13.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8,14,15,19,20-octamethyl-25,26-di(propan-2-yl)tricyclo[19.3.1.19,13]hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene is sourced from PubChem (CID 159704202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).