4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene

C31H29N — CID 144995440

IUPAC4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccccc2C)c2c(C)cncc2c1
InChIInChI=1S/C24H21N.C7H8/c1-16-8-4-6-10-21(16)19-12-20-15-25-14-18(3)24(20)23(13-19)22-11-7-5-9-17(22)2;1-7-5-3-2-4-6-7/h4-15H,1-3H3;2-6H,1H3
InChIKeyICGUIURLXXESPU-UHFFFAOYSA-N
MW415.58 g/mol
LogP8.49
Rot. Bonds2

About 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene

4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene (PubChem CID 144995440) has the molecular formula C31H29N and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene.

Molecular Properties

Compound Name4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene
PubChem CID144995440
Molecular FormulaC31H29N
Molecular Weight415.58 g/mol
Exact Mass415.23
IUPAC Name4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2ccccc2C)c2c(C)cncc2c1
InChIInChI=1S/C24H21N.C7H8/c1-16-8-4-6-10-21(16)19-12-20-15-25-14-18(3)24(20)23(13-19)22-11-7-5-9-17(22)2;1-7-5-3-2-4-6-7/h4-15H,1-3H3;2-6H,1H3
InChIKeyICGUIURLXXESPU-UHFFFAOYSA-N
XLogP8.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-5-(2-methylphenyl)benzene
CID 12639839
5-(2-methylphenyl)pyrimidine
CID 4188102
1,4-dimethyl-2,5-bis(2-methylphenyl)benzene;1-methyl-3,5-diphenylbenzene;toluene
CID 144920257
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
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-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene?
The IUPAC name of 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene (CID 144995440) is 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene.
What is the SMILES notation for 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene?
The canonical SMILES for 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene is Cc1ccccc1.Cc1ccccc1-c1cc(-c2ccccc2C)c2c(C)cncc2c1.
What is the InChIKey of 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene?
The InChIKey is ICGUIURLXXESPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N.C7H8/c1-16-8-4-6-10-21(16)19-12-20-15-25-14-18(3)24(20)23(13-19)22-11-7-5-9-17(22)2;1-7-5-3-2-4-6-7/h4-15H,1-3H3;2-6H,1H3.
What are the key properties of 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene?
4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene has a molecular weight of 415.58 g/mol, XLogP of 8.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,7-bis(2-methylphenyl)isoquinoline;toluene is sourced from PubChem (CID 144995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).