1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene

C38H36O — CID 145303198

IUPAC1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene
SMILESC=Cc1c(C(/C=C\C)=C/CC)ccc(-c2c(C=C)c(C=C)c(-c3ccc(OC)cc3)c3ccccc23)c1C=C
InChIInChI=1S/C38H36O/c1-8-16-26(17-9-2)33-24-25-36(30(11-4)29(33)10-3)38-32(13-6)31(12-5)37(34-18-14-15-19-35(34)38)27-20-22-28(39-7)23-21-27/h8,10-25H,3-6,9H2,1-2,7H3/b16-8-,26-17+
InChIKeyRADTUHOOKKTSFK-VRKKBYPOSA-N
MW508.71 g/mol
LogP11.12
Rot. Bonds10

About 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene

1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene (PubChem CID 145303198) has the molecular formula C38H36O and a molecular weight of 508.71 g/mol. Its IUPAC name is 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene.

Molecular Properties

Compound Name1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene
PubChem CID145303198
Molecular FormulaC38H36O
Molecular Weight508.71 g/mol
Exact Mass508.28
IUPAC Name1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene
SMILESC=Cc1c(C(/C=C\C)=C/CC)ccc(-c2c(C=C)c(C=C)c(-c3ccc(OC)cc3)c3ccccc23)c1C=C
InChIInChI=1S/C38H36O/c1-8-16-26(17-9-2)33-24-25-36(30(11-4)29(33)10-3)38-32(13-6)31(12-5)37(34-18-14-15-19-35(34)38)27-20-22-28(39-7)23-21-27/h8,10-25H,3-6,9H2,1-2,7H3/b16-8-,26-17+
InChIKeyRADTUHOOKKTSFK-VRKKBYPOSA-N
XLogP11.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene?
The IUPAC name of 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene (CID 145303198) is 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene.
What is the SMILES notation for 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene?
The canonical SMILES for 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene is C=Cc1c(C(/C=C\C)=C/CC)ccc(-c2c(C=C)c(C=C)c(-c3ccc(OC)cc3)c3ccccc23)c1C=C.
What is the InChIKey of 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene?
The InChIKey is RADTUHOOKKTSFK-VRKKBYPOSA-N. The full InChI is InChI=1S/C38H36O/c1-8-16-26(17-9-2)33-24-25-36(30(11-4)29(33)10-3)38-32(13-6)31(12-5)37(34-18-14-15-19-35(34)38)27-20-22-28(39-7)23-21-27/h8,10-25H,3-6,9H2,1-2,7H3/b16-8-,26-17+.
What are the key properties of 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene?
1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene has a molecular weight of 508.71 g/mol, XLogP of 11.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(ethenyl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-2,3-bis(ethenyl)-4-(4-methoxyphenyl)naphthalene is sourced from PubChem (CID 145303198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).