N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine

C50H39NO2 — CID 134337447

IUPACN,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12)Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C50H39NO2/c1-2-3-28-51(31-37-22-14-26-41-45-39-24-12-10-20-35(39)29-43(49(45)52-47(37)41)33-16-6-4-7-17-33)32-38-23-15-27-42-46-40-25-13-11-21-36(40)30-44(50(46)53-48(38)42)34-18-8-5-9-19-34/h4-27,29-30H,2-3,28,31-32H2,1H3
InChIKeyFPCIWRUUAYCGQY-UHFFFAOYSA-N
MW685.87 g/mol
LogP13.93
Rot. Bonds9

About N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine

N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine (PubChem CID 134337447) has the molecular formula C50H39NO2 and a molecular weight of 685.87 g/mol. Its IUPAC name is N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine
PubChem CID134337447
Molecular FormulaC50H39NO2
Molecular Weight685.87 g/mol
Exact Mass685.30
IUPAC NameN,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine
SMILESCCCCN(Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12)Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12
InChIInChI=1S/C50H39NO2/c1-2-3-28-51(31-37-22-14-26-41-45-39-24-12-10-20-35(39)29-43(49(45)52-47(37)41)33-16-6-4-7-17-33)32-38-23-15-27-42-46-40-25-13-11-21-36(40)30-44(50(46)53-48(38)42)34-18-8-5-9-19-34/h4-27,29-30H,2-3,28,31-32H2,1H3
InChIKeyFPCIWRUUAYCGQY-UHFFFAOYSA-N
XLogP13.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.87
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-phenylaniline;bis(8-methyl-6-phenylnaphtho[2,1-b][1]benzofuran)
CID 158728625
6-phenyl-N,N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 130290539
6-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 130289732
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
8-methyl-6-(2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 130290646
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-dibenzofuran-1-yl-N,6-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 176844230
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 126561028
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

Frequently Asked Questions

What is the IUPAC name of N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine?
The IUPAC name of N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine (CID 134337447) is N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine.
What is the SMILES notation for N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine?
The canonical SMILES for N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine is CCCCN(Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12)Cc1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.
What is the InChIKey of N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine?
The InChIKey is FPCIWRUUAYCGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39NO2/c1-2-3-28-51(31-37-22-14-26-41-45-39-24-12-10-20-35(39)29-43(49(45)52-47(37)41)33-16-6-4-7-17-33)32-38-23-15-27-42-46-40-25-13-11-21-36(40)30-44(50(46)53-48(38)42)34-18-8-5-9-19-34/h4-27,29-30H,2-3,28,31-32H2,1H3.
What are the key properties of N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine?
N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine has a molecular weight of 685.87 g/mol, XLogP of 13.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)methyl]butan-1-amine is sourced from PubChem (CID 134337447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).