10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene

C36H26 — CID 157144570

IUPAC10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
SMILESCc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/C36H26/c1-19-3-5-29-21(7-19)9-23-15-33-25(13-31(23)29)11-27-18-36-28(17-35(27)33)12-26-14-32-24(16-34(26)36)10-22-8-20(2)4-6-30(22)32/h3-8,13-18H,9-12H2,1-2H3
InChIKeyULTYEVVSFDKFAJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP8.59
Rot. Bonds

About 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene

10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene (PubChem CID 157144570) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene.

Molecular Properties

Compound Name10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
PubChem CID157144570
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene
SMILESCc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3
InChIInChI=1S/C36H26/c1-19-3-5-29-21(7-19)9-23-15-33-25(13-31(23)29)11-27-18-36-28(17-35(27)33)12-26-14-32-24(16-34(26)36)10-22-8-20(2)4-6-30(22)32/h3-8,13-18H,9-12H2,1-2H3
InChIKeyULTYEVVSFDKFAJ-UHFFFAOYSA-N
XLogP8.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene?
The IUPAC name of 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene (CID 157144570) is 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene.
What is the SMILES notation for 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene?
The canonical SMILES for 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene is Cc1ccc2c(c1)Cc1cc3c(cc1-2)Cc1cc2c(cc1-3)Cc1cc3c(cc1-2)Cc1cc(C)ccc1-3.
What is the InChIKey of 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene?
The InChIKey is ULTYEVVSFDKFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-19-3-5-29-21(7-19)9-23-15-33-25(13-31(23)29)11-27-18-36-28(17-35(27)33)12-26-14-32-24(16-34(26)36)10-22-8-20(2)4-6-30(22)32/h3-8,13-18H,9-12H2,1-2H3.
What are the key properties of 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene?
10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene has a molecular weight of 458.60 g/mol, XLogP of 8.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,27-dimethylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8(13),9,11,15,19,21,23(31),25(30),26,28,32-pentadecaene is sourced from PubChem (CID 157144570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).