3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine

C37H37N3 — CID 21299093

IUPAC3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine
SMILESCN(C)c1ccc(C2c3ccc(N(C)Cc4ccccc4)cc3-c3cc(N(C)Cc4ccccc4)ccc32)cc1
InChIInChI=1S/C37H37N3/c1-38(2)30-17-15-29(16-18-30)37-33-21-19-31(39(3)25-27-11-7-5-8-12-27)23-35(33)36-24-32(20-22-34(36)37)40(4)26-28-13-9-6-10-14-28/h5-24,37H,25-26H2,1-4H3
InChIKeyUSTXKYYBGOVJSB-UHFFFAOYSA-N
MW523.72 g/mol
LogP8.19
Rot. Bonds8

About 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine

3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine (PubChem CID 21299093) has the molecular formula C37H37N3 and a molecular weight of 523.72 g/mol. Its IUPAC name is 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine
PubChem CID21299093
Molecular FormulaC37H37N3
Molecular Weight523.72 g/mol
Exact Mass523.30
IUPAC Name3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine
SMILESCN(C)c1ccc(C2c3ccc(N(C)Cc4ccccc4)cc3-c3cc(N(C)Cc4ccccc4)ccc32)cc1
InChIInChI=1S/C37H37N3/c1-38(2)30-17-15-29(16-18-30)37-33-21-19-31(39(3)25-27-11-7-5-8-12-27)23-35(33)36-24-32(20-22-34(36)37)40(4)26-28-13-9-6-10-14-28/h5-24,37H,25-26H2,1-4H3
InChIKeyUSTXKYYBGOVJSB-UHFFFAOYSA-N
XLogP8.19
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine with MolForge

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Related Compounds

2-Diethylaminofluorene
CID 224047
Benzenamine, 4,4',4''-methylidynetris[N,N-diethyl-3-methyl-
CID 78234
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
9-(4-(Dimethylamino)benzylidene)fluorene
CID 224068
[7-(dibenzylamino)-9H-fluoren-2-yl]thiourea
CID 49773455
Benzenamine, 4,4',4'',4'''-(1,2-ethenediylidene)tetrakis[N,N-dimethyl-
CID 96274
2-(N,N-Bis(2-bromopropyl)amino)fluorene
CID 240377
N,N,N',N'-Tetraphenylbenzidine
CID 84981
Benzenamine, 4,4'-(4,4-diphenyl-1,3-butadienylidene)bis[N,N-diethyl-
CID 176143
Benzenamine, 4-[2-[4-[2-[4-[2-(4-butylphenyl)diazenyl]phenyl]diazenyl]-1-naphthalenyl]diazenyl]-N,N-diethyl-
CID 13710415
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-diphenyl-N4,N4'-bis[4-(4-phenyl-1,3-butadien-1-yl)phenyl]-
CID 59920086
9-benzyl-N-ethyl-N-(2-phenylethyl)-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-5-amine
CID 46902415

Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The IUPAC name of 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine (CID 21299093) is 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The canonical SMILES for 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine is CN(C)c1ccc(C2c3ccc(N(C)Cc4ccccc4)cc3-c3cc(N(C)Cc4ccccc4)ccc32)cc1.
What is the InChIKey of 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
The InChIKey is USTXKYYBGOVJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N3/c1-38(2)30-17-15-29(16-18-30)37-33-21-19-31(39(3)25-27-11-7-5-8-12-27)23-35(33)36-24-32(20-22-34(36)37)40(4)26-28-13-9-6-10-14-28/h5-24,37H,25-26H2,1-4H3.
What are the key properties of 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine?
3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine has a molecular weight of 523.72 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dibenzyl-9-[4-(dimethylamino)phenyl]-3-N,6-N-dimethyl-9H-fluorene-3,6-diamine is sourced from PubChem (CID 21299093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).