1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine

C36H22BF10N — CID 164667595

IUPAC1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine
SMILESCC(C)N(C)c1ccc2ccccc2c1-c1c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12
InChIInChI=1S/C36H22BF10N/c1-16(2)48(3)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)37(25-27(38)31(42)35(46)32(43)28(25)39)26-29(40)33(44)36(47)34(45)30(26)41/h4-16H,1-3H3
InChIKeyMNJNPBPGVABIMA-UHFFFAOYSA-N
MW669.37 g/mol
LogP8.41
Rot. Bonds6

About 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine

1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine (PubChem CID 164667595) has the molecular formula C36H22BF10N and a molecular weight of 669.37 g/mol. Its IUPAC name is 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine
PubChem CID164667595
Molecular FormulaC36H22BF10N
Molecular Weight669.37 g/mol
Exact Mass669.17
IUPAC Name1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine
SMILESCC(C)N(C)c1ccc2ccccc2c1-c1c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12
InChIInChI=1S/C36H22BF10N/c1-16(2)48(3)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)37(25-27(38)31(42)35(46)32(43)28(25)39)26-29(40)33(44)36(47)34(45)30(26)41/h4-16H,1-3H3
InChIKeyMNJNPBPGVABIMA-UHFFFAOYSA-N
XLogP8.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.37
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzenamine, 4-[2-[4-[2-[4-[2-(4-butylphenyl)diazenyl]phenyl]diazenyl]-1-naphthalenyl]diazenyl]-N,N-diethyl-
CID 13710415
N,N-dimethylpyren-1-amine
CID 145792
WO2023288027, Cmpd 2k(2S,4R)
CID 166638686
(+)-2-(Dicyclohexylphosphino)-2'-(dimethylamino)-1,1'-binaphthyl
CID 11375328
9,10-Bis(N,N-di-(p-tolyl)-amino)anthracene
CID 22976653
{[4-(Ethylphenylamino)phenyl]methyl}methyl(naphthylmethyl)amine
CID 460678
Trimethyl-[3-[5-(4-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
CID 56595852
Trimethyl-[4-[5-(4-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
CID 56595854
Trimethyl-[3-[5-[4-(trifluoromethyl)phenyl]naphthalen-2-yl]phenyl]azanium iodide
CID 56595858
Trimethyl-[3-[5-(3-phenylphenyl)naphthalen-2-yl]phenyl]azanium iodide
CID 56595906
[3-[5-(4-Fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
CID 71579797
[4-[5-(4-Fluorophenyl)naphthalen-2-yl]phenyl]-trimethylazanium iodide
CID 71579799

Frequently Asked Questions

What is the IUPAC name of 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine?
The IUPAC name of 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine (CID 164667595) is 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine.
What is the SMILES notation for 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine?
The canonical SMILES for 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine is CC(C)N(C)c1ccc2ccccc2c1-c1c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)ccc2ccccc12.
What is the InChIKey of 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine?
The InChIKey is MNJNPBPGVABIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22BF10N/c1-16(2)48(3)22-15-13-18-9-5-7-11-20(18)24(22)23-19-10-6-4-8-17(19)12-14-21(23)37(25-27(38)31(42)35(46)32(43)28(25)39)26-29(40)33(44)36(47)34(45)30(26)41/h4-16H,1-3H3.
What are the key properties of 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine?
1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine has a molecular weight of 669.37 g/mol, XLogP of 8.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine is sourced from PubChem (CID 164667595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).