formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene

C55H56O2 — CID 143126377

IUPACformaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESC=O.CC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1.COCCc1ccccc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12
InChIInChI=1S/C23H22.2C11H10.C9H12O.CH2O/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-10-8-7-9-5-3-2-4-6-9;1-2/h3-14,22-23H,15H2,1-2H3;2*2-8H,1H3;2-6H,7-8H2,1H3;1H2
InChIKeyNGYSWQBIZGKBIQ-UHFFFAOYSA-N
MW749.05 g/mol
LogP14.18
Rot. Bonds6

About formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene

formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143126377) has the molecular formula C55H56O2 and a molecular weight of 749.05 g/mol. Its IUPAC name is formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Nameformaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143126377
Molecular FormulaC55H56O2
Molecular Weight749.05 g/mol
Exact Mass748.43
IUPAC Nameformaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESC=O.CC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1.COCCc1ccccc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12
InChIInChI=1S/C23H22.2C11H10.C9H12O.CH2O/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-10-8-7-9-5-3-2-4-6-9;1-2/h3-14,22-23H,15H2,1-2H3;2*2-8H,1H3;2-6H,7-8H2,1H3;1H2
InChIKeyNGYSWQBIZGKBIQ-UHFFFAOYSA-N
XLogP14.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.05
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene
CID 143126378
2-methoxyethylbenzene
CID 19089
1,4-bis(4-methylphenyl)benzene;cumene;ethylbenzene;bis(1-methylnaphthalene)
CID 166528356
anisole;methyl (E)-3-(3-bicyclo[4.1.0]hepta-2,4-dienyl)prop-2-enoate
CID 145193070
carbonic acid;1-methylnaphthalene
CID 66808059
ethane;1-methylnaphthalene;toluene
CID 91013579
1-methyl-4-[2-(4-phenylphenyl)prop-1-enyl]benzene
CID 58019403
1-methylnaphthalene;1-[[4-(4-methylphenyl)phenyl]-phenylmethyl]naphthalene;toluene
CID 142867953
2-(2-but-2-en-2-ylphenyl)-4-(2-methoxy-3-methylphenyl)-6-phenyl-1,3,5-triazine
CID 123847148
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
2-[2-methoxyethyl-(2-naphthalen-1-ylcyclopropanecarbonyl)amino]acetic acid
CID 119348048
2-phenylethyl 2-[2-(4-methoxyphenyl)prop-1-enoxy]propanoate
CID 167437972

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene (CID 143126377) is formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene is C=O.CC(=CC1=CC2CC2C=C1)c1ccc(-c2ccc(C)cc2)cc1.COCCc1ccccc1.Cc1cccc2ccccc12.Cc1cccc2ccccc12.
What is the InChIKey of formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is NGYSWQBIZGKBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22.2C11H10.C9H12O.CH2O/c1-16-3-6-20(7-4-16)21-11-9-19(10-12-21)17(2)13-18-5-8-22-15-23(22)14-18;2*1-9-5-4-7-10-6-2-3-8-11(9)10;1-10-8-7-9-5-3-2-4-6-9;1-2/h3-14,22-23H,15H2,1-2H3;2*2-8H,1H3;2-6H,7-8H2,1H3;1H2.
What are the key properties of formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene?
formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 749.05 g/mol, XLogP of 14.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-methoxyethylbenzene;bis(1-methylnaphthalene);3-[2-[4-(4-methylphenyl)phenyl]prop-1-enyl]bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143126377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).