N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)

C62H51NO2 — CID 158728625

IUPACN-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)
SMILESCCCCN(c1ccccc1)c1ccccc1.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/2C23H16O.C16H19N/c2*1-15-8-7-13-19-21-18-12-6-5-11-17(18)14-20(23(21)24-22(15)19)16-9-3-2-4-10-16;1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2*2-14H,1H3;4-13H,2-3,14H2,1H3
InChIKeyIKUYMQKTKKEMBN-UHFFFAOYSA-N
MW842.10 g/mol
LogP18.05
Rot. Bonds7

About N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)

N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) (PubChem CID 158728625) has the molecular formula C62H51NO2 and a molecular weight of 842.10 g/mol. Its IUPAC name is N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran).

Molecular Properties

Compound NameN-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)
PubChem CID158728625
Molecular FormulaC62H51NO2
Molecular Weight842.10 g/mol
Exact Mass841.39
IUPAC NameN-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)
SMILESCCCCN(c1ccccc1)c1ccccc1.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/2C23H16O.C16H19N/c2*1-15-8-7-13-19-21-18-12-6-5-11-17(18)14-20(23(21)24-22(15)19)16-9-3-2-4-10-16;1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2*2-14H,1H3;4-13H,2-3,14H2,1H3
InChIKeyIKUYMQKTKKEMBN-UHFFFAOYSA-N
XLogP18.05
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 518.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) 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

N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine
CID 134337447
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
N-(4-phenanthren-9-ylphenyl)-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130289864
6-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290660
N-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 134337496
N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)phenyl]aniline
CID 134337497
N,N,6-triphenylnaphtho[2,1-b][1]benzofuran-9-amine
CID 176844324
6-naphthalen-2-yl-N-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290545
8-methyl-N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444459

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)?
The IUPAC name of N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) (CID 158728625) is N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran).
What is the SMILES notation for N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)?
The canonical SMILES for N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) is CCCCN(c1ccccc1)c1ccccc1.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)?
The InChIKey is IKUYMQKTKKEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16O.C16H19N/c2*1-15-8-7-13-19-21-18-12-6-5-11-17(18)14-20(23(21)24-22(15)19)16-9-3-2-4-10-16;1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2*2-14H,1H3;4-13H,2-3,14H2,1H3.
What are the key properties of N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)?
N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) has a molecular weight of 842.10 g/mol, XLogP of 18.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran) is sourced from PubChem (CID 158728625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).