N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

C31H32N2 — CID 167675917

IUPACN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3
InChIKeyBPCCQJWTZNZKQX-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.62
Rot. Bonds7

About N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine

N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (PubChem CID 167675917) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.

Molecular Properties

Compound NameN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
PubChem CID167675917
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC NameN-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine
SMILESCN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2
InChIInChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3
InChIKeyBPCCQJWTZNZKQX-UHFFFAOYSA-N
XLogP6.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The IUPAC name of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine (CID 167675917) is N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine.
What is the SMILES notation for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The canonical SMILES for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is CN(C)Cc1ccc2c(c1)Cc1cccc(CN(C)Cc3ccc(-c4ccccc4)cc3)c1-2.
What is the InChIKey of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
The InChIKey is BPCCQJWTZNZKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-32(2)20-24-14-17-30-29(18-24)19-27-10-7-11-28(31(27)30)22-33(3)21-23-12-15-26(16-13-23)25-8-5-4-6-9-25/h4-18H,19-22H2,1-3H3.
What are the key properties of N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine?
N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine has a molecular weight of 432.61 g/mol, XLogP of 6.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(dimethylamino)methyl]-9H-fluoren-4-yl]methyl]-N-methyl-1-(4-phenylphenyl)methanamine is sourced from PubChem (CID 167675917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).