1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine

C37H33N — CID 150537970

IUPAC1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1cc2cc3ccccc3cc2c(-c2ccccc2CN(C)C)c1-c1ccccc1C
InChIInChI=1S/C37H33N/c1-25-13-5-10-18-31(25)35-23-30-21-27-15-7-8-16-28(27)22-34(30)37(36(35)32-19-11-6-14-26(32)2)33-20-12-9-17-29(33)24-38(3)4/h5-23H,24H2,1-4H3
InChIKeyIFGHOYMHQYQESH-UHFFFAOYSA-N
MW491.68 g/mol
LogP9.67
Rot. Bonds5

About 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine

1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 150537970) has the molecular formula C37H33N and a molecular weight of 491.68 g/mol. Its IUPAC name is 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID150537970
Molecular FormulaC37H33N
Molecular Weight491.68 g/mol
Exact Mass491.26
IUPAC Name1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine
SMILESCc1ccccc1-c1cc2cc3ccccc3cc2c(-c2ccccc2CN(C)C)c1-c1ccccc1C
InChIInChI=1S/C37H33N/c1-25-13-5-10-18-31(25)35-23-30-21-27-15-7-8-16-28(27)22-34(30)37(36(35)32-19-11-6-14-26(32)2)33-20-12-9-17-29(33)24-38(3)4/h5-23H,24H2,1-4H3
InChIKeyIFGHOYMHQYQESH-UHFFFAOYSA-N
XLogP9.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.68
LogP ≤ 59.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167
1,2,3-tris[2-[(2-methylpropan-2-yl)oxy]phenyl]anthracene
CID 152561986
[2,3-bis(2-methylphenyl)naphthalen-1-yl] phosphite
CID 22399530
2,3-dinaphthalen-1-yl-1-phenylanthracene
CID 151512335
1-(2,6-dimethylphenyl)pentacene
CID 163989342
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
heptacyclo[14.11.1.02,7.08,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene
CID 631772
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
octacyclo[22.12.0.02,7.08,17.010,15.018,23.025,30.031,36]hexatriaconta-1(24),2,4,6,8,10,12,14,16,18,20,22,25,27,29,31,33,35-octadecaene
CID 162413036
1-[3-hydroxy-5-methyl-2-(2-methylphenyl)imidazol-4-yl]-N,N-dimethylmethanamine
CID 23332858
N-methyl-N-[[2-(2-methylphenyl)phenyl]methyl]-2-phenylpropan-2-amine;hydrochloride
CID 141141167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine (CID 150537970) is 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine is Cc1ccccc1-c1cc2cc3ccccc3cc2c(-c2ccccc2CN(C)C)c1-c1ccccc1C.
What is the InChIKey of 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is IFGHOYMHQYQESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N/c1-25-13-5-10-18-31(25)35-23-30-21-27-15-7-8-16-28(27)22-34(30)37(36(35)32-19-11-6-14-26(32)2)33-20-12-9-17-29(33)24-38(3)4/h5-23H,24H2,1-4H3.
What are the key properties of 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine?
1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 491.68 g/mol, XLogP of 9.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2,3-bis(2-methylphenyl)anthracen-1-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 150537970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).