14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene

C36H26 — CID 158378580

IUPAC14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
SMILESCc1cc2c(c3c1Cc1ccccc1-3)-c1cc3c(cc1C2)-c1c(cc(C)c2c1Cc1ccccc1-2)C3
InChIInChI=1S/C36H26/c1-19-11-26-14-24-17-30-23(18-31(24)35(26)36-28-10-6-4-7-21(28)15-29(19)36)13-25-12-20(2)33-27-9-5-3-8-22(27)16-32(33)34(25)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeySAXVDBKWGGTFGF-UHFFFAOYSA-N
MW458.60 g/mol
LogP8.59
Rot. Bonds

About 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene

14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene (PubChem CID 158378580) has the molecular formula C36H26 and a molecular weight of 458.60 g/mol. Its IUPAC name is 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene.

Molecular Properties

Compound Name14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
PubChem CID158378580
Molecular FormulaC36H26
Molecular Weight458.60 g/mol
Exact Mass458.20
IUPAC Name14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene
SMILESCc1cc2c(c3c1Cc1ccccc1-3)-c1cc3c(cc1C2)-c1c(cc(C)c2c1Cc1ccccc1-2)C3
InChIInChI=1S/C36H26/c1-19-11-26-14-24-17-30-23(18-31(24)35(26)36-28-10-6-4-7-21(28)15-29(19)36)13-25-12-20(2)33-27-9-5-3-8-22(27)16-32(33)34(25)30/h3-12,17-18H,13-16H2,1-2H3
InChIKeySAXVDBKWGGTFGF-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 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene with MolForge

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Related Compounds

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2-ethyl-4-methyl-9H-fluorene
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1,2-dimethyl-9H-fluorene;2,3-dimethyl-9H-fluorene;3,4-dimethyl-9H-fluorene
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bis(1,2-dimethyl-9H-fluorene);bis(2,3-dimethyl-9H-fluorene);3,4-dimethyl-9H-fluorene
CID 163707739
bis(7,12-dihydroindeno[1,2-a]fluorene);bis(11,12-dihydroindeno[2,1-a]fluorene);bis(10,12-dihydroindeno[2,1-b]fluorene);ethane
CID 160769436
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
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CID 157433703

Frequently Asked Questions

What is the IUPAC name of 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The IUPAC name of 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene (CID 158378580) is 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene.
What is the SMILES notation for 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The canonical SMILES for 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene is Cc1cc2c(c3c1Cc1ccccc1-3)-c1cc3c(cc1C2)-c1c(cc(C)c2c1Cc1ccccc1-2)C3.
What is the InChIKey of 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene?
The InChIKey is SAXVDBKWGGTFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26/c1-19-11-26-14-24-17-30-23(18-31(24)35(26)36-28-10-6-4-7-21(28)15-29(19)36)13-25-12-20(2)33-27-9-5-3-8-22(27)16-32(33)34(25)30/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene?
14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-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 14,31-dimethylnonacyclo[18.14.0.03,18.04,16.05,13.06,11.021,33.022,30.024,29]tetratriaconta-1(20),2,4(16),5(13),6,8,10,14,18,21(33),22(30),24,26,28,31-pentadecaene is sourced from PubChem (CID 158378580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).