2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol

C34H32N2O — CID 5250946

IUPAC2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3cccc4cccc(c34)C2(O)c2ccccc2)cc1
InChIInChI=1S/C34H32N2O/c1-35(2)28-20-16-25(17-21-28)33(26-18-22-29(23-19-26)36(3)4)30-14-8-10-24-11-9-15-31(32(24)30)34(33,37)27-12-6-5-7-13-27/h5-23,37H,1-4H3
InChIKeyCTYABJFNMHQUMG-UHFFFAOYSA-N
MW484.64 g/mol
LogP6.56
Rot. Bonds5

About 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol

2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol (PubChem CID 5250946) has the molecular formula C34H32N2O and a molecular weight of 484.64 g/mol. Its IUPAC name is 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol.

Molecular Properties

Compound Name2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
PubChem CID5250946
Molecular FormulaC34H32N2O
Molecular Weight484.64 g/mol
Exact Mass484.25
IUPAC Name2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol
SMILESCN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3cccc4cccc(c34)C2(O)c2ccccc2)cc1
InChIInChI=1S/C34H32N2O/c1-35(2)28-20-16-25(17-21-28)33(26-18-22-29(23-19-26)36(3)4)30-14-8-10-24-11-9-15-31(32(24)30)34(33,37)27-12-6-5-7-13-27/h5-23,37H,1-4H3
InChIKeyCTYABJFNMHQUMG-UHFFFAOYSA-N
XLogP6.56
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-methoxyphenyl)acenaphthylene-1,2-diol
CID 72802652
12-naphthalen-1-ylhexacyclo[11.7.1.13,7.02,12.017,21.011,22]docosa-1(20),3,5,7(22),8,10,13,15,17(21),18-decaen-2-ol
CID 11166060
4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline
CID 139191381
acetonitrile;N,N-dimethylaniline;pyrene
CID 160703197
N,N-dimethylaniline;methanol
CID 143205399
nonacyclo[12.12.9.127,31.01,14.02,7.08,13.015,20.021,26.035,36]hexatriaconta-2,4,6,8,10,12,15,17,19,21,23,25,27,29,31(36),32,34-heptadecaene
CID 101134797
N,N-dimethylaniline
CID 70392672
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;nickel
CID 158294400

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol?
The IUPAC name of 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol (CID 5250946) is 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol.
What is the SMILES notation for 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol?
The canonical SMILES for 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol is CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)c3cccc4cccc(c34)C2(O)c2ccccc2)cc1.
What is the InChIKey of 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol?
The InChIKey is CTYABJFNMHQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O/c1-35(2)28-20-16-25(17-21-28)33(26-18-22-29(23-19-26)36(3)4)30-14-8-10-24-11-9-15-31(32(24)30)34(33,37)27-12-6-5-7-13-27/h5-23,37H,1-4H3.
What are the key properties of 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol?
2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol has a molecular weight of 484.64 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[4-(dimethylamino)phenyl]-1-phenylacenaphthylen-1-ol is sourced from PubChem (CID 5250946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).