2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene

C49H43N — CID 144990131

IUPAC2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene
SMILESC=Cc1ccccc1-c1ccccc1Nc1ccccc1.Cc1c(-c2cccc3cccc(C)c23)ccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C22H18.C20H17N.C7H8/c1-15-7-5-9-18-10-6-12-21(22(15)18)20-14-13-17-8-3-4-11-19(17)16(20)2;1-2-16-10-6-7-13-18(16)19-14-8-9-15-20(19)21-17-11-4-3-5-12-17;1-7-5-3-2-4-6-7/h3-14H,1-2H3;2-15,21H,1H2;2-6H,1H3
InChIKeyKWBHXQOJSLWDAL-UHFFFAOYSA-N
MW645.89 g/mol
LogP14.01
Rot. Bonds5

About 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene

2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene (PubChem CID 144990131) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene.

Molecular Properties

Compound Name2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene
PubChem CID144990131
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene
SMILESC=Cc1ccccc1-c1ccccc1Nc1ccccc1.Cc1c(-c2cccc3cccc(C)c23)ccc2ccccc12.Cc1ccccc1
InChIInChI=1S/C22H18.C20H17N.C7H8/c1-15-7-5-9-18-10-6-12-21(22(15)18)20-14-13-17-8-3-4-11-19(17)16(20)2;1-2-16-10-6-7-13-18(16)19-14-8-9-15-20(19)21-17-11-4-3-5-12-17;1-7-5-3-2-4-6-7/h3-14H,1-2H3;2-15,21H,1H2;2-6H,1H3
InChIKeyKWBHXQOJSLWDAL-UHFFFAOYSA-N
XLogP14.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 514.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene?
The IUPAC name of 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene (CID 144990131) is 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene.
What is the SMILES notation for 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene?
The canonical SMILES for 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene is C=Cc1ccccc1-c1ccccc1Nc1ccccc1.Cc1c(-c2cccc3cccc(C)c23)ccc2ccccc12.Cc1ccccc1.
What is the InChIKey of 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene?
The InChIKey is KWBHXQOJSLWDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18.C20H17N.C7H8/c1-15-7-5-9-18-10-6-12-21(22(15)18)20-14-13-17-8-3-4-11-19(17)16(20)2;1-2-16-10-6-7-13-18(16)19-14-8-9-15-20(19)21-17-11-4-3-5-12-17;1-7-5-3-2-4-6-7/h3-14H,1-2H3;2-15,21H,1H2;2-6H,1H3.
What are the key properties of 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene?
2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene has a molecular weight of 645.89 g/mol, XLogP of 14.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)-N-phenylaniline;1-methyl-2-(8-methylnaphthalen-1-yl)naphthalene;toluene is sourced from PubChem (CID 144990131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).