6-phenylhexa-2,4-dienylbenzene;titanium

C18H18Ti — CID 161467723

IUPAC6-phenylhexa-2,4-dienylbenzene;titanium
SMILESC(C=CCc1ccccc1)=CCc1ccccc1.[Ti]
InChIInChI=1S/C18H18.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-10,13-16H,11-12H2;
InChIKeyWCQXHHJXHBPIMV-UHFFFAOYSA-N
MW282.21 g/mol
LogP4.58
Rot. Bonds5

About 6-phenylhexa-2,4-dienylbenzene;titanium

6-phenylhexa-2,4-dienylbenzene;titanium (PubChem CID 161467723) has the molecular formula C18H18Ti and a molecular weight of 282.21 g/mol. Its IUPAC name is 6-phenylhexa-2,4-dienylbenzene;titanium.

Molecular Properties

Compound Name6-phenylhexa-2,4-dienylbenzene;titanium
PubChem CID161467723
Molecular FormulaC18H18Ti
Molecular Weight282.21 g/mol
Exact Mass282.09
IUPAC Name6-phenylhexa-2,4-dienylbenzene;titanium
SMILESC(C=CCc1ccccc1)=CCc1ccccc1.[Ti]
InChIInChI=1S/C18H18.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-10,13-16H,11-12H2;
InChIKeyWCQXHHJXHBPIMV-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbanide;6-phenylhexa-2,4-dienylbenzene;silane;titanium(2+)
CID 173208197
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(E)-N,4-diphenylbut-2-en-1-imine
CID 58165742
5-chloropent-2-enylbenzene
CID 79603176
4-phenylbut-2-ene-1-thiol
CID 54126363
CID 173481561
CID 173481561
(2Z,5Z,7Z)-N,N-diethyl-9-phenylnona-2,5,7-trien-1-amine
CID 101206038
4-(4-phenylbut-2-enyl)phenol
CID 66608492
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
4,4,4-trifluorobut-2-enylbenzene
CID 12591112

Frequently Asked Questions

What is the IUPAC name of 6-phenylhexa-2,4-dienylbenzene;titanium?
The IUPAC name of 6-phenylhexa-2,4-dienylbenzene;titanium (CID 161467723) is 6-phenylhexa-2,4-dienylbenzene;titanium.
What is the SMILES notation for 6-phenylhexa-2,4-dienylbenzene;titanium?
The canonical SMILES for 6-phenylhexa-2,4-dienylbenzene;titanium is C(C=CCc1ccccc1)=CCc1ccccc1.[Ti].
What is the InChIKey of 6-phenylhexa-2,4-dienylbenzene;titanium?
The InChIKey is WCQXHHJXHBPIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18.Ti/c1(5-11-17-13-7-3-8-14-17)2-6-12-18-15-9-4-10-16-18;/h1-10,13-16H,11-12H2;.
What are the key properties of 6-phenylhexa-2,4-dienylbenzene;titanium?
6-phenylhexa-2,4-dienylbenzene;titanium has a molecular weight of 282.21 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexa-2,4-dienylbenzene;titanium is sourced from PubChem (CID 161467723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).