1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine

C34H39N3 — CID 157137362

IUPAC1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cccc(CN(C)Cc3ccc4c(c3)-c3ccc(CN(C)C)cc3C4)c2)cc1
InChIInChI=1S/C34H39N3/c1-35(2)21-25-9-13-29(14-10-25)30-8-6-7-26(17-30)23-37(5)24-28-11-15-31-20-32-18-27(22-36(3)4)12-16-33(32)34(31)19-28/h6-19H,20-24H2,1-5H3
InChIKeyDAWGWGHBXHVZLC-UHFFFAOYSA-N
MW489.71 g/mol
LogP6.68
Rot. Bonds9

About 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine

1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 157137362) has the molecular formula C34H39N3 and a molecular weight of 489.71 g/mol. Its IUPAC name is 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine
PubChem CID157137362
Molecular FormulaC34H39N3
Molecular Weight489.71 g/mol
Exact Mass489.31
IUPAC Name1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2cccc(CN(C)Cc3ccc4c(c3)-c3ccc(CN(C)C)cc3C4)c2)cc1
InChIInChI=1S/C34H39N3/c1-35(2)21-25-9-13-29(14-10-25)30-8-6-7-26(17-30)23-37(5)24-28-11-15-31-20-32-18-27(22-36(3)4)12-16-33(32)34(31)19-28/h6-19H,20-24H2,1-5H3
InChIKeyDAWGWGHBXHVZLC-UHFFFAOYSA-N
XLogP6.68
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.71
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine (CID 157137362) is 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2cccc(CN(C)Cc3ccc4c(c3)-c3ccc(CN(C)C)cc3C4)c2)cc1.
What is the InChIKey of 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is DAWGWGHBXHVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N3/c1-35(2)21-25-9-13-29(14-10-25)30-8-6-7-26(17-30)23-37(5)24-28-11-15-31-20-32-18-27(22-36(3)4)12-16-33(32)34(31)19-28/h6-19H,20-24H2,1-5H3.
What are the key properties of 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 489.71 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[[[7-[(dimethylamino)methyl]-9H-fluoren-3-yl]methyl-methylamino]methyl]phenyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 157137362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).