2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene

C66H64 — CID 21365156

IUPAC2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
SMILESCc1cc(C)c(C(=Cc2ccc(/C=C/c3cc4ccccc4cc3/C=C/c3ccc(C=C(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C66H64/c1-41-29-45(5)63(46(6)30-41)61(64-47(7)31-42(2)32-48(64)8)37-55-21-17-53(18-22-55)25-27-59-39-57-15-13-14-16-58(57)40-60(59)28-26-54-19-23-56(24-20-54)38-62(65-49(9)33-43(3)34-50(65)10)66-51(11)35-44(4)36-52(66)12/h13-40H,1-12H3/b27-25+,28-26+
InChIKeyYWLNVUFZNQRSQZ-NBHCHVEOSA-N
MW857.24 g/mol
LogP18.06
Rot. Bonds10

About 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene

2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene (PubChem CID 21365156) has the molecular formula C66H64 and a molecular weight of 857.24 g/mol. Its IUPAC name is 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
PubChem CID21365156
Molecular FormulaC66H64
Molecular Weight857.24 g/mol
Exact Mass856.50
IUPAC Name2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene
SMILESCc1cc(C)c(C(=Cc2ccc(/C=C/c3cc4ccccc4cc3/C=C/c3ccc(C=C(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C66H64/c1-41-29-45(5)63(46(6)30-41)61(64-47(7)31-42(2)32-48(64)8)37-55-21-17-53(18-22-55)25-27-59-39-57-15-13-14-16-58(57)40-60(59)28-26-54-19-23-56(24-20-54)38-62(65-49(9)33-43(3)34-50(65)10)66-51(11)35-44(4)36-52(66)12/h13-40H,1-12H3/b27-25+,28-26+
InChIKeyYWLNVUFZNQRSQZ-NBHCHVEOSA-N
XLogP18.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.24
LogP ≤ 518.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-bis[2-(4-methylphenyl)ethenyl]naphthalene;ethane
CID 90817407
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
2,3-bis[2-[4-[2-(4-tert-butylphenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100430
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
2,3-bis[2-[4-[2-(4-nitrophenyl)-2-phenylethenyl]phenyl]ethenyl]naphthalene
CID 59100524
2,3-bis[(E)-2-(3,4,5-trimethylphenyl)ethenyl]naphthalene
CID 21365152
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
CID 147683852
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]benzene
CID 20678091
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
2,3-bis[(Z)-2-[2-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]anthracene
CID 163905286
tris[4-[2,2-bis(2,5-dimethylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-(2-methylphenyl)ethenyl]phenyl]phosphane;tris[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]phosphane
CID 159841583

Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene (CID 21365156) is 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene is Cc1cc(C)c(C(=Cc2ccc(/C=C/c3cc4ccccc4cc3/C=C/c3ccc(C=C(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)cc3)cc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is YWLNVUFZNQRSQZ-NBHCHVEOSA-N. The full InChI is InChI=1S/C66H64/c1-41-29-45(5)63(46(6)30-41)61(64-47(7)31-42(2)32-48(64)8)37-55-21-17-53(18-22-55)25-27-59-39-57-15-13-14-16-58(57)40-60(59)28-26-54-19-23-56(24-20-54)38-62(65-49(9)33-43(3)34-50(65)10)66-51(11)35-44(4)36-52(66)12/h13-40H,1-12H3/b27-25+,28-26+.
What are the key properties of 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 857.24 g/mol, XLogP of 18.06, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-[4-[2,2-bis(2,4,6-trimethylphenyl)ethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 21365156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).