12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene

C70H58 — CID 162416678

IUPAC12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
SMILESCc1cc(C)c(C2=c3ccc4c(c3-c3ccccc32)-c2cc3c(cc2C=4c2c(C)cc(C)cc2C)-c2c4c(ccc2=C3c2c(C)cc(C)cc2C)=C(c2c(C)cc(C)cc2C)c2ccccc2-4)c(C)c1
InChIInChI=1S/C70H58/c1-35-25-39(5)59(40(6)26-35)63-47-17-13-15-19-49(47)65-51(63)21-23-53-67(61-43(9)29-37(3)30-44(61)10)55-34-58-56(33-57(55)69(53)65)68(62-45(11)31-38(4)32-46(62)12)54-24-22-52-64(60-41(7)27-36(2)28-42(60)8)48-18-14-16-20-50(48)66(52)70(54)58/h13-34H,1-12H3
InChIKeyOWYXSVOXBBCLTD-UHFFFAOYSA-N
MW899.23 g/mol
LogP14.30
Rot. Bonds4

About 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene

12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene (PubChem CID 162416678) has the molecular formula C70H58 and a molecular weight of 899.23 g/mol. Its IUPAC name is 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene.

Molecular Properties

Compound Name12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
PubChem CID162416678
Molecular FormulaC70H58
Molecular Weight899.23 g/mol
Exact Mass898.45
IUPAC Name12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
SMILESCc1cc(C)c(C2=c3ccc4c(c3-c3ccccc32)-c2cc3c(cc2C=4c2c(C)cc(C)cc2C)-c2c4c(ccc2=C3c2c(C)cc(C)cc2C)=C(c2c(C)cc(C)cc2C)c2ccccc2-4)c(C)c1
InChIInChI=1S/C70H58/c1-35-25-39(5)59(40(6)26-35)63-47-17-13-15-19-49(47)65-51(63)21-23-53-67(61-43(9)29-37(3)30-44(61)10)55-34-58-56(33-57(55)69(53)65)68(62-45(11)31-38(4)32-46(62)12)54-24-22-52-64(60-41(7)27-36(2)28-42(60)8)48-18-14-16-20-50(48)66(52)70(54)58/h13-34H,1-12H3
InChIKeyOWYXSVOXBBCLTD-UHFFFAOYSA-N
XLogP14.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.23
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene?
The IUPAC name of 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene (CID 162416678) is 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene.
What is the SMILES notation for 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene?
The canonical SMILES for 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene is Cc1cc(C)c(C2=c3ccc4c(c3-c3ccccc32)-c2cc3c(cc2C=4c2c(C)cc(C)cc2C)-c2c4c(ccc2=C3c2c(C)cc(C)cc2C)=C(c2c(C)cc(C)cc2C)c2ccccc2-4)c(C)c1.
What is the InChIKey of 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene?
The InChIKey is OWYXSVOXBBCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H58/c1-35-25-39(5)59(40(6)26-35)63-47-17-13-15-19-49(47)65-51(63)21-23-53-67(61-43(9)29-37(3)30-44(61)10)55-34-58-56(33-57(55)69(53)65)68(62-45(11)31-38(4)32-46(62)12)54-24-22-52-64(60-41(7)27-36(2)28-42(60)8)48-18-14-16-20-50(48)66(52)70(54)58/h13-34H,1-12H3.
What are the key properties of 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene?
12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene has a molecular weight of 899.23 g/mol, XLogP of 14.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12,17,29,34-tetrakis(2,4,6-trimethylphenyl)nonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.023,28]tetratriaconta-1,3(18),4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene is sourced from PubChem (CID 162416678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).