4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene

C38H38O2 — CID 87934909

IUPAC4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene
SMILESCOc1ccc(C2C=CC=CC3=C2C=C(C)C3C(C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H38O2/c1-24-22-35-31(27-14-18-29(39-4)19-15-27)10-6-8-12-33(35)37(24)26(3)38-25(2)23-36-32(11-7-9-13-34(36)38)28-16-20-30(40-5)21-17-28/h6-23,26,31-32,37-38H,1-5H3
InChIKeyWWTVDCQBKUNXNT-UHFFFAOYSA-N
MW526.72 g/mol
LogP9.20
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene

4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene (PubChem CID 87934909) has the molecular formula C38H38O2 and a molecular weight of 526.72 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene
PubChem CID87934909
Molecular FormulaC38H38O2
Molecular Weight526.72 g/mol
Exact Mass526.29
IUPAC Name4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene
SMILESCOc1ccc(C2C=CC=CC3=C2C=C(C)C3C(C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1
InChIInChI=1S/C38H38O2/c1-24-22-35-31(27-14-18-29(39-4)19-15-27)10-6-8-12-33(35)37(24)26(3)38-25(2)23-36-32(11-7-9-13-34(36)38)28-16-20-30(40-5)21-17-28/h6-23,26,31-32,37-38H,1-5H3
InChIKeyWWTVDCQBKUNXNT-UHFFFAOYSA-N
XLogP9.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.72
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]-methylsilane
CID 173198394
CID 87935008
CID 87935008
CID 173198381
CID 173198381
dichlorozirconium;bis(trimethyl-[4-[2-methyl-1-[1-[2-methyl-4-(4-trimethylsilyloxyphenyl)-4H-azulen-1-id-1-yl]ethyl]-4H-azulen-1-id-4-yl]phenoxy]silane)
CID 87935102
CID 87934719
CID 87934719
CID 87934535
CID 87934535
5-(4-methoxyphenyl)-6-sulfonylcyclohexa-1,3-diene-1-carbaldehyde
CID 173297310
3-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole
CID 154417745
1-[1-fluoro-6-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-4-methylbicyclo[2.2.2]octane
CID 19849387
ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
CID 143418654
1-(113C)methoxy-4-methylbenzene
CID 166176950
6-chloro-1-(4-methoxyphenyl)-2-methyl-1H-indene
CID 46866914

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene?
The IUPAC name of 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene (CID 87934909) is 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene is COc1ccc(C2C=CC=CC3=C2C=C(C)C3C(C)C2C(C)=CC3=C2C=CC=CC3c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene?
The InChIKey is WWTVDCQBKUNXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38O2/c1-24-22-35-31(27-14-18-29(39-4)19-15-27)10-6-8-12-33(35)37(24)26(3)38-25(2)23-36-32(11-7-9-13-34(36)38)28-16-20-30(40-5)21-17-28/h6-23,26,31-32,37-38H,1-5H3.
What are the key properties of 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene?
4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene has a molecular weight of 526.72 g/mol, XLogP of 9.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[1-[4-(4-methoxyphenyl)-2-methyl-1,4-dihydroazulen-1-yl]ethyl]-2-methyl-1,4-dihydroazulene is sourced from PubChem (CID 87934909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).