ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene

C30H28 — CID 145073064

IUPACethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
SMILESC=C/C(=C\C(=C)c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1.CC
InChIInChI=1S/C28H22.C2H6/c1-3-22(20-21(2)23-10-5-4-6-11-23)24-16-18-26(19-17-24)28-15-9-13-25-12-7-8-14-27(25)28;1-2/h3-20H,1-2H2;1-2H3/b22-20+;
InChIKeyZDJMJBATCUWMEB-QPNALZDCSA-N
MW388.55 g/mol
LogP8.82
Rot. Bonds5

About ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene

ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene (PubChem CID 145073064) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene.

Molecular Properties

Compound Nameethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
PubChem CID145073064
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Nameethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene
SMILESC=C/C(=C\C(=C)c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1.CC
InChIInChI=1S/C28H22.C2H6/c1-3-22(20-21(2)23-10-5-4-6-11-23)24-16-18-26(19-17-24)28-15-9-13-25-12-7-8-14-27(25)28;1-2/h3-20H,1-2H2;1-2H3/b22-20+;
InChIKeyZDJMJBATCUWMEB-QPNALZDCSA-N
XLogP8.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 58.82
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

4-naphthalen-1-ylbenzoic acid
CID 2760151
1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
9-[3-[(3E)-hexa-1,3,5-trien-3-yl]-5-phenylphenyl]-10-naphthalen-1-ylanthracene
CID 159326588
1-[4-(3-methylbuta-1,3-dienyl)phenyl]naphthalene
CID 123732172
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
(2Z)-3-phenylpenta-2,4-dien-1-ol
CID 121216692
1,3-diphenylbenzene;ethane;1-phenylnaphthalene;2-phenylnaphthalene
CID 157179117

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene?
The IUPAC name of ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene (CID 145073064) is ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene.
What is the SMILES notation for ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene?
The canonical SMILES for ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene is C=C/C(=C\C(=C)c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1.CC.
What is the InChIKey of ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene?
The InChIKey is ZDJMJBATCUWMEB-QPNALZDCSA-N. The full InChI is InChI=1S/C28H22.C2H6/c1-3-22(20-21(2)23-10-5-4-6-11-23)24-16-18-26(19-17-24)28-15-9-13-25-12-7-8-14-27(25)28;1-2/h3-20H,1-2H2;1-2H3/b22-20+;.
What are the key properties of ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene?
ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene has a molecular weight of 388.55 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[(3E)-5-phenylhexa-1,3,5-trien-3-yl]phenyl]naphthalene is sourced from PubChem (CID 145073064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).