5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene

C42H32 — CID 144685078

IUPAC5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene
SMILESC/C=C\C=C/Cc1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C42H32/c1-2-3-4-14-26-35-33-25-15-16-27-34(33)39(31-21-10-6-11-22-31)42-40(32-23-12-7-13-24-32)37-29-18-17-28-36(37)38(41(35)42)30-19-8-5-9-20-30/h2-25,27-29H,26H2,1H3/b3-2-,14-4-
InChIKeyYUSMDWMCRGMBCX-XZNXNBDISA-N
MW536.72 g/mol
LogP11.82
Rot. Bonds6

About 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene

5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene (PubChem CID 144685078) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene.

Molecular Properties

Compound Name5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene
PubChem CID144685078
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene
SMILESC/C=C\C=C/Cc1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C42H32/c1-2-3-4-14-26-35-33-25-15-16-27-34(33)39(31-21-10-6-11-22-31)42-40(32-23-12-7-13-24-32)37-29-18-17-28-36(37)38(41(35)42)30-19-8-5-9-20-30/h2-25,27-29H,26H2,1H3/b3-2-,14-4-
InChIKeyYUSMDWMCRGMBCX-XZNXNBDISA-N
XLogP11.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene?
The IUPAC name of 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene (CID 144685078) is 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene.
What is the SMILES notation for 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene?
The canonical SMILES for 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene is C/C=C\C=C/Cc1c2ccccc2c(-c2ccccc2)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c12.
What is the InChIKey of 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene?
The InChIKey is YUSMDWMCRGMBCX-XZNXNBDISA-N. The full InChI is InChI=1S/C42H32/c1-2-3-4-14-26-35-33-25-15-16-27-34(33)39(31-21-10-6-11-22-31)42-40(32-23-12-7-13-24-32)37-29-18-17-28-36(37)38(41(35)42)30-19-8-5-9-20-30/h2-25,27-29H,26H2,1H3/b3-2-,14-4-.
What are the key properties of 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene?
5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene has a molecular weight of 536.72 g/mol, XLogP of 11.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,4Z)-hexa-2,4-dienyl]-6,11,12-triphenyltetracene is sourced from PubChem (CID 144685078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).