5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene

C33H32 — CID 143134474

IUPAC5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene
SMILESC=C1CCC(C)=C1c1ccc2cc(-c3ccc(C)c(C45CC=C6C(CC6C4)C5)c3)ccc2c1
InChIInChI=1S/C33H32/c1-20-6-7-26(17-31(20)33-13-12-30-28(18-33)16-29(30)19-33)24-8-9-25-15-27(11-10-23(25)14-24)32-21(2)4-5-22(32)3/h6-12,14-15,17,28-29H,2,4-5,13,16,18-19H2,1,3H3
InChIKeyKNOAHTFONXTWHS-UHFFFAOYSA-N
MW428.62 g/mol
LogP8.94
Rot. Bonds3

About 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene

5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene (PubChem CID 143134474) has the molecular formula C33H32 and a molecular weight of 428.62 g/mol. Its IUPAC name is 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene.

Molecular Properties

Compound Name5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene
PubChem CID143134474
Molecular FormulaC33H32
Molecular Weight428.62 g/mol
Exact Mass428.25
IUPAC Name5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene
SMILESC=C1CCC(C)=C1c1ccc2cc(-c3ccc(C)c(C45CC=C6C(CC6C4)C5)c3)ccc2c1
InChIInChI=1S/C33H32/c1-20-6-7-26(17-31(20)33-13-12-30-28(18-33)16-29(30)19-33)24-8-9-25-15-27(11-10-23(25)14-24)32-21(2)4-5-22(32)3/h6-12,14-15,17,28-29H,2,4-5,13,16,18-19H2,1,3H3
InChIKeyKNOAHTFONXTWHS-UHFFFAOYSA-N
XLogP8.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)-4-methylphenyl]-6-methylnaphthalene
CID 142475789
ethane;3-methyl-2-[6-[4-methyl-3-(1-methylcyclohexyl)phenyl]naphthalen-2-yl]cyclohex-2-en-1-one
CID 143134535
3-[4-[3-(1-adamantyl)-4-methylphenyl]phenyl]prop-2-ynoic acid
CID 167707897
(E)-3-[3-carbamoyl-4-[4-methoxy-3-(5-tricyclo[3.3.1.02,7]non-2-enyl)phenyl]phenyl]prop-2-enoic acid
CID 134388674
ethene;methyl 6-[3-(1-adamantyl)-4-hydroxyphenyl]naphthalene-2-carboxylate
CID 143380631
2-[6-[3-(1-adamantyl)-4-(3-hydroxypropyl)phenyl]naphthalen-2-yl]-3-hydroxycyclopent-2-en-1-one
CID 58852432
1-[2-methoxy-5-(6-propan-2-ylnaphthalen-2-yl)phenyl]adamantane
CID 170407580
1,1,4,4-tetramethyl-6-(4-methylphenyl)-2,3-dihydroanthracene
CID 21477505
2-[6-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]naphthalen-2-yl]-9,9-dimethylfluorene
CID 58351434
2-[9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-yl]-9,9-dimethyl-7-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]fluorene
CID 123193635
2-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluorene
CID 59133445
2,3-dimethyl-6-naphthalen-2-yl-1H-cyclopenta[b]naphthalene
CID 58536043

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene?
The IUPAC name of 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene (CID 143134474) is 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene.
What is the SMILES notation for 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene?
The canonical SMILES for 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene is C=C1CCC(C)=C1c1ccc2cc(-c3ccc(C)c(C45CC=C6C(CC6C4)C5)c3)ccc2c1.
What is the InChIKey of 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene?
The InChIKey is KNOAHTFONXTWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32/c1-20-6-7-26(17-31(20)33-13-12-30-28(18-33)16-29(30)19-33)24-8-9-25-15-27(11-10-23(25)14-24)32-21(2)4-5-22(32)3/h6-12,14-15,17,28-29H,2,4-5,13,16,18-19H2,1,3H3.
What are the key properties of 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene?
5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene has a molecular weight of 428.62 g/mol, XLogP of 8.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-[6-(2-methyl-5-methylidenecyclopenten-1-yl)naphthalen-2-yl]phenyl]tricyclo[3.3.1.02,7]non-2-ene is sourced from PubChem (CID 143134474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).