2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene

C34H38 — CID 143013940

IUPAC2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene
SMILESC/C(=C/C=C/CC(C)(C)c1c(C)ccc2ccccc12)C(C)(C)c1c(C)ccc2ccccc12
InChIInChI=1S/C34H38/c1-24-19-21-27-15-8-10-17-29(27)31(24)33(4,5)23-13-12-14-26(3)34(6,7)32-25(2)20-22-28-16-9-11-18-30(28)32/h8-22H,23H2,1-7H3/b13-12+,26-14-
InChIKeyGNJSSTKBRQBWAB-KCMLGGMZSA-N
MW446.68 g/mol
LogP9.76
Rot. Bonds6

About 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene

2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene (PubChem CID 143013940) has the molecular formula C34H38 and a molecular weight of 446.68 g/mol. Its IUPAC name is 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene.

Molecular Properties

Compound Name2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene
PubChem CID143013940
Molecular FormulaC34H38
Molecular Weight446.68 g/mol
Exact Mass446.30
IUPAC Name2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene
SMILESC/C(=C/C=C/CC(C)(C)c1c(C)ccc2ccccc12)C(C)(C)c1c(C)ccc2ccccc12
InChIInChI=1S/C34H38/c1-24-19-21-27-15-8-10-17-29(27)31(24)33(4,5)23-13-12-14-26(3)34(6,7)32-25(2)20-22-28-16-9-11-18-30(28)32/h8-22H,23H2,1-7H3/b13-12+,26-14-
InChIKeyGNJSSTKBRQBWAB-KCMLGGMZSA-N
XLogP9.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.68
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene?
The IUPAC name of 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene (CID 143013940) is 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene.
What is the SMILES notation for 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene?
The canonical SMILES for 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene is C/C(=C/C=C/CC(C)(C)c1c(C)ccc2ccccc12)C(C)(C)c1c(C)ccc2ccccc12.
What is the InChIKey of 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene?
The InChIKey is GNJSSTKBRQBWAB-KCMLGGMZSA-N. The full InChI is InChI=1S/C34H38/c1-24-19-21-27-15-8-10-17-29(27)31(24)33(4,5)23-13-12-14-26(3)34(6,7)32-25(2)20-22-28-16-9-11-18-30(28)32/h8-22H,23H2,1-7H3/b13-12+,26-14-.
What are the key properties of 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene?
2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene has a molecular weight of 446.68 g/mol, XLogP of 9.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3Z,5E)-2,3,8-trimethyl-8-(2-methylnaphthalen-1-yl)nona-3,5-dien-2-yl]naphthalene is sourced from PubChem (CID 143013940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).