16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene

C36H24 — CID 59090434

IUPAC16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
SMILESCc1ccc2c(-c3c4ccccc4c4c5cccc6cc(C)cc(c7cccc3c74)c65)cccc2c1
InChIInChI=1S/C36H24/c1-21-16-17-25-23(18-21)8-5-12-26(25)34-27-10-3-4-11-28(27)35-30-14-6-9-24-19-22(2)20-32(33(24)30)29-13-7-15-31(34)36(29)35/h3-20H,1-2H3
InChIKeyNFRMBLGHXFSEAV-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.33
Rot. Bonds1

About 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene

16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene (PubChem CID 59090434) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene.

Molecular Properties

Compound Name16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
PubChem CID59090434
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene
SMILESCc1ccc2c(-c3c4ccccc4c4c5cccc6cc(C)cc(c7cccc3c74)c65)cccc2c1
InChIInChI=1S/C36H24/c1-21-16-17-25-23(18-21)8-5-12-26(25)34-27-10-3-4-11-28(27)35-30-14-6-9-24-19-22(2)20-32(33(24)30)29-13-7-15-31(34)36(29)35/h3-20H,1-2H3
InChIKeyNFRMBLGHXFSEAV-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene with MolForge

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Related Compounds

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12,23-dimethylheptacyclo[14.10.2.02,7.08,28.010,15.019,27.020,25]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
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1,9,10-trinaphthalen-1-ylanthracene
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Frequently Asked Questions

What is the IUPAC name of 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene?
The IUPAC name of 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene (CID 59090434) is 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene.
What is the SMILES notation for 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene?
The canonical SMILES for 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene is Cc1ccc2c(-c3c4ccccc4c4c5cccc6cc(C)cc(c7cccc3c74)c65)cccc2c1.
What is the InChIKey of 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene?
The InChIKey is NFRMBLGHXFSEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-21-16-17-25-23(18-21)8-5-12-26(25)34-27-10-3-4-11-28(27)35-30-14-6-9-24-19-22(2)20-32(33(24)30)29-13-7-15-31(34)36(29)35/h3-20H,1-2H3.
What are the key properties of 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene?
16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene has a molecular weight of 456.59 g/mol, XLogP of 10.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-8-(6-methylnaphthalen-1-yl)hexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosa-1(23),2,4,6,8,10,12,14,16,18(24),19,21-dodecaene is sourced from PubChem (CID 59090434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).