4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene

C26H22S — CID 144661693

IUPAC4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
SMILESC=C(C)/C=C\C(=C/C)c1cccc2c1sc1c(-c3ccccc3)cccc12
InChIInChI=1S/C26H22S/c1-4-19(17-16-18(2)3)21-12-8-14-23-24-15-9-13-22(26(24)27-25(21)23)20-10-6-5-7-11-20/h4-17H,2H2,1,3H3/b17-16-,19-4+
InChIKeyKNNMPEKFSNTHAT-AHJOQGMVSA-N
MW366.53 g/mol
LogP8.26
Rot. Bonds4

About 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene

4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene (PubChem CID 144661693) has the molecular formula C26H22S and a molecular weight of 366.53 g/mol. Its IUPAC name is 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene.

Molecular Properties

Compound Name4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
PubChem CID144661693
Molecular FormulaC26H22S
Molecular Weight366.53 g/mol
Exact Mass366.14
IUPAC Name4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene
SMILESC=C(C)/C=C\C(=C/C)c1cccc2c1sc1c(-c3ccccc3)cccc12
InChIInChI=1S/C26H22S/c1-4-19(17-16-18(2)3)21-12-8-14-23-24-15-9-13-22(26(24)27-25(21)23)20-10-6-5-7-11-20/h4-17H,2H2,1,3H3/b17-16-,19-4+
InChIKeyKNNMPEKFSNTHAT-AHJOQGMVSA-N
XLogP8.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.53
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-6-(4-methylphenyl)dibenzothiophene
CID 144687861
(2E,4Z)-6-(6-phenyldibenzothiophen-4-yl)hepta-2,4,6-trien-3-amine
CID 90135832
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-5-(4-methylphenyl)naphthalene
CID 143516756
4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
CID 142405934
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-8-phenylnaphthalene
CID 174100337
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzothiophene
CID 66656896
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
N-[(2E)-4-dibenzothiophen-4-yl-1-(9-phenyldibenzothiophen-3-yl)penta-2,4-dienyl]-1-phenylethanimine
CID 170366048
(3Z,5E)-5-(2-phenylphenyl)hepta-3,5-dien-2-amine
CID 145274973
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene?
The IUPAC name of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene (CID 144661693) is 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene.
What is the SMILES notation for 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene?
The canonical SMILES for 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene is C=C(C)/C=C\C(=C/C)c1cccc2c1sc1c(-c3ccccc3)cccc12.
What is the InChIKey of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene?
The InChIKey is KNNMPEKFSNTHAT-AHJOQGMVSA-N. The full InChI is InChI=1S/C26H22S/c1-4-19(17-16-18(2)3)21-12-8-14-23-24-15-9-13-22(26(24)27-25(21)23)20-10-6-5-7-11-20/h4-17H,2H2,1,3H3/b17-16-,19-4+.
What are the key properties of 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene?
4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene has a molecular weight of 366.53 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]-6-phenyldibenzothiophene is sourced from PubChem (CID 144661693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).