(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

C34H32O6 — CID 71028014

IUPAC(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCOc1ccc(/C=C2\c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C34H32O6/c1-35-24-11-7-21(8-12-24)15-29-30-18-27(38-4)20-32(40-6)34(30)28(22-9-13-25(36-2)14-10-22)17-23-16-26(37-3)19-31(39-5)33(23)29/h7-20H,1-6H3/b29-15+
InChIKeyQBQUDILXODQPAM-WKULSOCRSA-N
MW536.62 g/mol
LogP7.23
Rot. Bonds8

About (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene

(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (PubChem CID 71028014) has the molecular formula C34H32O6 and a molecular weight of 536.62 g/mol. Its IUPAC name is (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.

Molecular Properties

Compound Name(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
PubChem CID71028014
Molecular FormulaC34H32O6
Molecular Weight536.62 g/mol
Exact Mass536.22
IUPAC Name(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
SMILESCOc1ccc(/C=C2\c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C34H32O6/c1-35-24-11-7-21(8-12-24)15-29-30-18-27(38-4)20-32(40-6)34(30)28(22-9-13-25(36-2)14-10-22)17-23-16-26(37-3)19-31(39-5)33(23)29/h7-20H,1-6H3/b29-15+
InChIKeyQBQUDILXODQPAM-WKULSOCRSA-N
XLogP7.23
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.62
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The IUPAC name of (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene (CID 71028014) is (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene.
What is the SMILES notation for (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The canonical SMILES for (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is COc1ccc(/C=C2\c3cc(OC)cc(OC)c3C(c3ccc(OC)cc3)=Cc3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
The InChIKey is QBQUDILXODQPAM-WKULSOCRSA-N. The full InChI is InChI=1S/C34H32O6/c1-35-24-11-7-21(8-12-24)15-29-30-18-27(38-4)20-32(40-6)34(30)28(22-9-13-25(36-2)14-10-22)17-23-16-26(37-3)19-31(39-5)33(23)29/h7-20H,1-6H3/b29-15+.
What are the key properties of (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene?
(2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene has a molecular weight of 536.62 g/mol, XLogP of 7.23, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4,6,12,14-tetramethoxy-10-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene is sourced from PubChem (CID 71028014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).