[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane

C32H29B — CID 173478367

IUPAC[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane
SMILESC/C=C\C=C(C)\C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29B/c1-3-4-17-26(2)31(27-18-9-5-10-19-27)32(28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-25H,1-2H3/b4-3-,26-17+,32-31+
InChIKeySCBFQLYURFPVHC-URQFJJAOSA-N
MW424.40 g/mol
LogP6.97
Rot. Bonds7

About [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane

[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane (PubChem CID 173478367) has the molecular formula C32H29B and a molecular weight of 424.40 g/mol. Its IUPAC name is [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane.

Molecular Properties

Compound Name[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane
PubChem CID173478367
Molecular FormulaC32H29B
Molecular Weight424.40 g/mol
Exact Mass424.24
IUPAC Name[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane
SMILESC/C=C\C=C(C)\C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H29B/c1-3-4-17-26(2)31(27-18-9-5-10-19-27)32(28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-25H,1-2H3/b4-3-,26-17+,32-31+
InChIKeySCBFQLYURFPVHC-URQFJJAOSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.40
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2E,4Z)-2-methyl-1-phenylhexa-2,4-dien-1-one
CID 155076161
CID 177024832
CID 177024832
N-[(2Z,4E,6Z,10E,12E)-11,13-dibromo-5-methyl-8,9-dimethylidenetetradeca-2,4,6,10,12-pentaen-6-yl]-1-phenylethanimine;ethane
CID 143096728
(E)-3-diphenylboranyl-N,N-dimethyl-2,3-diphenylprop-2-en-1-amine
CID 70793239
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
(2E,4Z,6Z)-4-phenylocta-2,4,6-trien-3-amine
CID 167165568
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
CID 144645018
(2E,4E)-2-phenylhexa-2,4-dienamide
CID 173390067
[(1E)-1-diphenylboranyl-3-methyl-1-phenylbuta-1,3-dien-2-yl]-ethyl-dimethylsilane
CID 134903758
(2E,4Z)-2-ethenyl-N-methyl-1-phenylhexa-2,4-dien-1-imine
CID 129227645
5-hexa-2,4-dien-2-ylbenzo[10]annulene
CID 123186746
1-bromo-3-[(2E,4Z)-hexa-2,4-dien-2-yl]benzene
CID 137396566

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane?
The IUPAC name of [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane (CID 173478367) is [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane.
What is the SMILES notation for [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane?
The canonical SMILES for [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane is C/C=C\C=C(C)\C(=C(/B(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane?
The InChIKey is SCBFQLYURFPVHC-URQFJJAOSA-N. The full InChI is InChI=1S/C32H29B/c1-3-4-17-26(2)31(27-18-9-5-10-19-27)32(28-20-11-6-12-21-28)33(29-22-13-7-14-23-29)30-24-15-8-16-25-30/h3-25H,1-2H3/b4-3-,26-17+,32-31+.
What are the key properties of [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane?
[(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane has a molecular weight of 424.40 g/mol, XLogP of 6.97, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E,5Z)-3-methyl-1,2-diphenylhepta-1,3,5-trienyl]-diphenylborane is sourced from PubChem (CID 173478367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).