benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene

C46H38 — CID 142424995

IUPACbenzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene
SMILESC(=C/c1ccccc1)\C(=C/Cc1ccc(-c2ccc3ccc(Cc4ccccc4)cc3c2)cc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C40H32.C6H6/c1-4-10-31(11-5-1)16-21-36(35-14-8-3-9-15-35)22-17-32-18-23-37(24-19-32)39-27-26-38-25-20-34(29-40(38)30-39)28-33-12-6-2-7-13-33;1-2-4-6-5-3-1/h1-16,18-27,29-30H,17,28H2;1-6H/b21-16+,36-22+;
InChIKeyLUUJVTXWLPOTTB-CGDCJQJWSA-N
MW590.81 g/mol
LogP12.12
Rot. Bonds8

About benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene

benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene (PubChem CID 142424995) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene.

Molecular Properties

Compound Namebenzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene
PubChem CID142424995
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Namebenzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene
SMILESC(=C/c1ccccc1)\C(=C/Cc1ccc(-c2ccc3ccc(Cc4ccccc4)cc3c2)cc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C40H32.C6H6/c1-4-10-31(11-5-1)16-21-36(35-14-8-3-9-15-35)22-17-32-18-23-37(24-19-32)39-27-26-38-25-20-34(29-40(38)30-39)28-33-12-6-2-7-13-33;1-2-4-6-5-3-1/h1-16,18-27,29-30H,17,28H2;1-6H/b21-16+,36-22+;
InChIKeyLUUJVTXWLPOTTB-CGDCJQJWSA-N
XLogP12.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 512.12
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

2-benzylnaphthalene
CID 11948
(1Z,3E)-3,5-diphenylpenta-1,3-dien-1-amine
CID 145186823
naphthalen-2-ylmethyl (E)-3-phenylprop-2-enimidothioate;hydrobromide
CID 69118987
1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-[(3-benzylphenyl)methyl]naphthalene
CID 157208363
1,4-bis(3-benzylphenyl)benzene
CID 175442136
2-benzyl-7-fluoronaphthalene
CID 54552488
(E)-1-(5-benzyl-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 70236184
(2E,4Z)-3-phenyl-5-(4-phenylphenyl)penta-2,4-dien-1-imine
CID 144554230
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
(E)-3-[4-[[4-[4-[2-(3,5-diaminophenyl)-2-oxoethyl]phenyl]phenyl]methyl]phenyl]-1-phenylprop-2-en-1-one
CID 58289367
4-(3-benzylphenyl)phenol
CID 101277658

Frequently Asked Questions

What is the IUPAC name of benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene?
The IUPAC name of benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene (CID 142424995) is benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene.
What is the SMILES notation for benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene?
The canonical SMILES for benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene is C(=C/c1ccccc1)\C(=C/Cc1ccc(-c2ccc3ccc(Cc4ccccc4)cc3c2)cc1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene?
The InChIKey is LUUJVTXWLPOTTB-CGDCJQJWSA-N. The full InChI is InChI=1S/C40H32.C6H6/c1-4-10-31(11-5-1)16-21-36(35-14-8-3-9-15-35)22-17-32-18-23-37(24-19-32)39-27-26-38-25-20-34(29-40(38)30-39)28-33-12-6-2-7-13-33;1-2-4-6-5-3-1/h1-16,18-27,29-30H,17,28H2;1-6H/b21-16+,36-22+;.
What are the key properties of benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene?
benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene has a molecular weight of 590.81 g/mol, XLogP of 12.12, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-benzyl-7-[4-[(2E,4E)-3,5-diphenylpenta-2,4-dienyl]phenyl]naphthalene is sourced from PubChem (CID 142424995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).