1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene

C34H29BrO — CID 140991368

IUPAC1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene
SMILESCOc1c(-c2ccc(C)cc2)cc(-c2ccc(Br)cc2)c(-c2ccccc2C)c1-c1cccc(C)c1
InChIInChI=1S/C34H29BrO/c1-22-12-14-26(15-13-22)31-21-30(25-16-18-28(35)19-17-25)33(29-11-6-5-9-24(29)3)32(34(31)36-4)27-10-7-8-23(2)20-27/h5-21H,1-4H3
InChIKeyNVCTUIDZDLDGNP-UHFFFAOYSA-N
MW533.51 g/mol
LogP10.05
Rot. Bonds5

About 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene

1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene (PubChem CID 140991368) has the molecular formula C34H29BrO and a molecular weight of 533.51 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene
PubChem CID140991368
Molecular FormulaC34H29BrO
Molecular Weight533.51 g/mol
Exact Mass532.14
IUPAC Name1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene
SMILESCOc1c(-c2ccc(C)cc2)cc(-c2ccc(Br)cc2)c(-c2ccccc2C)c1-c1cccc(C)c1
InChIInChI=1S/C34H29BrO/c1-22-12-14-26(15-13-22)31-21-30(25-16-18-28(35)19-17-25)33(29-11-6-5-9-24(29)3)32(34(31)36-4)27-10-7-8-23(2)20-27/h5-21H,1-4H3
InChIKeyNVCTUIDZDLDGNP-UHFFFAOYSA-N
XLogP10.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.51
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
CID 163847388
1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
1-methyl-2-(2-methylphenyl)-3-(4-methylphenyl)benzene
CID 144785199
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene?
The IUPAC name of 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene (CID 140991368) is 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene is COc1c(-c2ccc(C)cc2)cc(-c2ccc(Br)cc2)c(-c2ccccc2C)c1-c1cccc(C)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene?
The InChIKey is NVCTUIDZDLDGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29BrO/c1-22-12-14-26(15-13-22)31-21-30(25-16-18-28(35)19-17-25)33(29-11-6-5-9-24(29)3)32(34(31)36-4)27-10-7-8-23(2)20-27/h5-21H,1-4H3.
What are the key properties of 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene?
1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene has a molecular weight of 533.51 g/mol, XLogP of 10.05, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-methoxy-2-(2-methylphenyl)-3-(3-methylphenyl)-5-(4-methylphenyl)benzene is sourced from PubChem (CID 140991368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).