N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine

C162H107N3O3 — CID 165092418

IUPACN-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine
SMILESC1=CC2C=CC(c3cc(-c4ccccc4)ccc3N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)=CC2C=C1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccccc4c3-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)c(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C54H35NO.C54H37NO.C54H35NO/c1-2-13-36(14-3-1)42-30-31-49(48(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(51-23-12-22-47-46-21-10-11-24-52(46)56-54(47)51)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-13-36(14-3-1)42-30-31-48(47(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(49-22-12-24-52-54(49)46-21-10-11-23-51(46)56-52)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-12-36(13-3-1)42-27-30-50(49(34-42)43-24-22-37-14-4-6-17-40(37)32-43)55(45-28-29-48-47-20-10-11-21-52(47)56-53(48)35-45)51-31-26-39-16-8-9-19-46(39)54(51)44-25-23-38-15-5-7-18-41(38)33-44/h1-35H;1-35,37,40H;1-35H
InChIKeyWYAUXDMQJGSVLV-UHFFFAOYSA-N
MW2143.66 g/mol
LogP46.04
Rot. Bonds18

About N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine

N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 165092418) has the molecular formula C162H107N3O3 and a molecular weight of 2143.66 g/mol. Its IUPAC name is N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine
PubChem CID165092418
Molecular FormulaC162H107N3O3
Molecular Weight2143.66 g/mol
Exact Mass2141.83
IUPAC NameN-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine
SMILESC1=CC2C=CC(c3cc(-c4ccccc4)ccc3N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)=CC2C=C1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccccc4c3-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)c(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C54H35NO.C54H37NO.C54H35NO/c1-2-13-36(14-3-1)42-30-31-49(48(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(51-23-12-22-47-46-21-10-11-24-52(46)56-54(47)51)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-13-36(14-3-1)42-30-31-48(47(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(49-22-12-24-52-54(49)46-21-10-11-23-51(46)56-52)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-12-36(13-3-1)42-27-30-50(49(34-42)43-24-22-37-14-4-6-17-40(37)32-43)55(45-28-29-48-47-20-10-11-21-52(47)56-53(48)35-45)51-31-26-39-16-8-9-19-46(39)54(51)44-25-23-38-15-5-7-18-41(38)33-44/h1-35H;1-35,37,40H;1-35H
InChIKeyWYAUXDMQJGSVLV-UHFFFAOYSA-N
XLogP46.04
TPSA49.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms168
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002143.66
LogP ≤ 546.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine (CID 165092418) is N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine is C1=CC2C=CC(c3cc(-c4ccccc4)ccc3N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4oc5ccccc5c34)=CC2C=C1.c1ccc(-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4ccccc4c3-c3ccc4ccccc4c3)c(-c3ccc4ccccc4c3)c2)cc1.c1ccc(-c2ccc(N(c3ccc4ccccc4c3-c3ccc4ccccc4c3)c3cccc4c3oc3ccccc34)c(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is WYAUXDMQJGSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO.C54H37NO.C54H35NO/c1-2-13-36(14-3-1)42-30-31-49(48(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(51-23-12-22-47-46-21-10-11-24-52(46)56-54(47)51)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-13-36(14-3-1)42-30-31-48(47(35-42)43-27-25-37-15-4-6-18-40(37)33-43)55(49-22-12-24-52-54(49)46-21-10-11-23-51(46)56-52)50-32-29-39-17-8-9-20-45(39)53(50)44-28-26-38-16-5-7-19-41(38)34-44;1-2-12-36(13-3-1)42-27-30-50(49(34-42)43-24-22-37-14-4-6-17-40(37)32-43)55(45-28-29-48-47-20-10-11-21-52(47)56-53(48)35-45)51-31-26-39-16-8-9-19-46(39)54(51)44-25-23-38-15-5-7-18-41(38)33-44/h1-35H;1-35,37,40H;1-35H.
What are the key properties of N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine?
N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 2143.66 g/mol, XLogP of 46.04, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4a,8a-dihydronaphthalen-2-yl)-4-phenylphenyl]-N-(1-naphthalen-2-ylnaphthalen-2-yl)dibenzofuran-1-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-3-amine;N-(1-naphthalen-2-ylnaphthalen-2-yl)-N-(2-naphthalen-2-yl-4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 165092418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).