1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene

C29H30 — CID 143691822

IUPAC1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
SMILESCCC(C)c1cc(C)cc(-c2cc(C3=CC=CCC3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C29H30/c1-4-22(3)25-15-21(2)16-26(17-25)29-19-27(23-11-7-5-8-12-23)18-28(20-29)24-13-9-6-10-14-24/h5-9,11-13,15-20,22H,4,10,14H2,1-3H3
InChIKeyLMMYRZAATPPRCW-UHFFFAOYSA-N
MW378.56 g/mol
LogP8.58
Rot. Bonds5

About 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene

1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene (PubChem CID 143691822) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene.

Molecular Properties

Compound Name1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
PubChem CID143691822
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene
SMILESCCC(C)c1cc(C)cc(-c2cc(C3=CC=CCC3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C29H30/c1-4-22(3)25-15-21(2)16-26(17-25)29-19-27(23-11-7-5-8-12-23)18-28(20-29)24-13-9-6-10-14-24/h5-9,11-13,15-20,22H,4,10,14H2,1-3H3
InChIKeyLMMYRZAATPPRCW-UHFFFAOYSA-N
XLogP8.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclohexa-1,3-dien-1-yl-3-phenylbenzene;ethane
CID 144938549
1-cyclohexa-1,3-dien-1-yl-4-[2-(4-phenylphenyl)propyl]benzene
CID 145340700
1-cyclohexa-1,3-dien-1-yl-4-phenylbenzene
CID 123265998
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 143269273
1-butan-2-ylcyclohexa-1,3-diene;toluene;1,4-xylene
CID 144821200
(4-butan-2-ylcyclohexa-1,3-dien-1-yl)benzene
CID 156827134
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
N-[4-[4-[4-[4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 145063466
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
4-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166859893
13-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-28-(3,5-diphenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene
CID 155083470

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene?
The IUPAC name of 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene (CID 143691822) is 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene.
What is the SMILES notation for 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene?
The canonical SMILES for 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene is CCC(C)c1cc(C)cc(-c2cc(C3=CC=CCC3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene?
The InChIKey is LMMYRZAATPPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-4-22(3)25-15-21(2)16-26(17-25)29-19-27(23-11-7-5-8-12-23)18-28(20-29)24-13-9-6-10-14-24/h5-9,11-13,15-20,22H,4,10,14H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene?
1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene has a molecular weight of 378.56 g/mol, XLogP of 8.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-methylbenzene is sourced from PubChem (CID 143691822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).