bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)

C156H108N4O4 — CID 165020534

IUPACbis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
SMILESCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/4C39H27NO/c2*1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35;2*1-26-17-20-29(21-18-26)40(30-22-24-38-35(25-30)33-14-6-7-16-37(33)41-38)36-23-19-28-10-3-5-13-32(28)39(36)34-15-8-11-27-9-2-4-12-31(27)34/h4*2-25H,1H3
InChIKeyLCAPWADYQXTDGM-UHFFFAOYSA-N
MW2102.60 g/mol
LogP45.35
Rot. Bonds16

About bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)

bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) (PubChem CID 165020534) has the molecular formula C156H108N4O4 and a molecular weight of 2102.60 g/mol. Its IUPAC name is bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine).

Molecular Properties

Compound Namebis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
PubChem CID165020534
Molecular FormulaC156H108N4O4
Molecular Weight2102.60 g/mol
Exact Mass2100.84
IUPAC Namebis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)
SMILESCc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1
InChIInChI=1S/4C39H27NO/c2*1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35;2*1-26-17-20-29(21-18-26)40(30-22-24-38-35(25-30)33-14-6-7-16-37(33)41-38)36-23-19-28-10-3-5-13-32(28)39(36)34-15-8-11-27-9-2-4-12-31(27)34/h4*2-25H,1H3
InChIKeyLCAPWADYQXTDGM-UHFFFAOYSA-N
XLogP45.35
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002102.60
LogP ≤ 545.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) with MolForge

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Related Compounds

8-tert-butyl-N-(4-tert-butylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine
CID 168802218
N-(4-methylphenyl)-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 164774292
N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 164774692
N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
CID 164774401
N-(2-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167326199
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yldibenzofuran-3-amine
CID 168809644
N-dibenzofuran-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 121325430
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-(1-dibenzothiophen-4-ylnaphthalen-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 156522448
N-(2-naphthalen-1-yl-3-phenanthren-9-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177274970
N-chrysen-6-yl-N-phenyldibenzofuran-2-amine;6-N,12-N-di(dibenzofuran-2-yl)-6-N,12-N-bis(3-methylphenyl)chrysene-6,12-diamine;6-N,12-N-di(dibenzofuran-2-yl)-2,8-dimethyl-6-N,12-N-diphenylchrysene-6,12-diamine
CID 158655750
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[2,3-b][1]benzofuran-1-ylphenyl)dibenzofuran-2-amine
CID 174278954

Frequently Asked Questions

What is the IUPAC name of bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)?
The IUPAC name of bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) (CID 165020534) is bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine).
What is the SMILES notation for bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)?
The canonical SMILES for bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) is Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.Cc1ccc(N(c2ccc3oc4ccccc4c3c2)c2ccc3ccccc3c2-c2cccc3ccccc23)cc1.
What is the InChIKey of bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)?
The InChIKey is LCAPWADYQXTDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C39H27NO/c2*1-26-17-20-29(21-18-26)40(30-22-23-34-33-14-6-7-16-37(33)41-38(34)25-30)36-24-19-28-10-3-5-13-32(28)39(36)35-15-8-11-27-9-2-4-12-31(27)35;2*1-26-17-20-29(21-18-26)40(30-22-24-38-35(25-30)33-14-6-7-16-37(33)41-38)36-23-19-28-10-3-5-13-32(28)39(36)34-15-8-11-27-9-2-4-12-31(27)34/h4*2-25H,1H3.
What are the key properties of bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine)?
bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) has a molecular weight of 2102.60 g/mol, XLogP of 45.35, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine);bis(N-(4-methylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-3-amine) is sourced from PubChem (CID 165020534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).