3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

C59H44N2O — CID 171404250

IUPAC3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)CC2CCC4C3)cc1
InChIInChI=1S/C59H44N2O/c1-4-16-39(17-5-1)51-36-40-18-10-11-19-41(40)37-54(51)61(47-24-8-3-9-25-47)53-28-15-21-43-35-45-31-30-44-34-42-20-14-27-52(57(42)59(44,45)58(43)53)60(46-22-6-2-7-23-46)48-32-33-50-49-26-12-13-29-55(49)62-56(50)38-48/h1-29,32-33,36-38,44-45H,30-31,34-35H2
InChIKeyNKXAYIBLEFEWLU-UHFFFAOYSA-N
MW797.01 g/mol
LogP15.77
Rot. Bonds7

About 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine

3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (PubChem CID 171404250) has the molecular formula C59H44N2O and a molecular weight of 797.01 g/mol. Its IUPAC name is 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.

Molecular Properties

Compound Name3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
PubChem CID171404250
Molecular FormulaC59H44N2O
Molecular Weight797.01 g/mol
Exact Mass796.35
IUPAC Name3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
SMILESc1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)CC2CCC4C3)cc1
InChIInChI=1S/C59H44N2O/c1-4-16-39(17-5-1)51-36-40-18-10-11-19-41(40)37-54(51)61(47-24-8-3-9-25-47)53-28-15-21-43-35-45-31-30-44-34-42-20-14-27-52(57(42)59(44,45)58(43)53)60(46-22-6-2-7-23-46)48-32-33-50-49-26-12-13-29-55(49)62-56(50)38-48/h1-29,32-33,36-38,44-45H,30-31,34-35H2
InChIKeyNKXAYIBLEFEWLU-UHFFFAOYSA-N
XLogP15.77
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.01
LogP ≤ 515.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine with MolForge

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Related Compounds

18-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-3-N-[4-[1-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404359
18-N-[2-(4-cyclohexylphenyl)phenyl]-18-N-dibenzofuran-3-yl-3-N,3-N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404372
18-[dibenzofuran-3-yl-[4-(4-phenylphenyl)phenyl]methyl]-N,N-diphenylpentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaen-3-amine
CID 171403910
3-N-dibenzofuran-3-yl-4,6-diphenyl-1-N,1-N,3-N-tris(4-phenylphenyl)benzene-1,3-diamine
CID 118603848
20-N-(9,9-dimethylfluoren-2-yl)-3-N,20-N-diphenyl-3-N-[4-[3-(4-phenylphenyl)naphthalen-2-yl]phenyl]pentacyclo[12.7.0.01,9.02,7.016,21]henicosa-2(7),3,5,16(21),17,19-hexaene-3,20-diamine
CID 171404331
1-N,7-N-di(dibenzofuran-3-yl)-1-N,7-N-dinaphthalen-1-yl-3,6-diphenylnaphthalene-1,7-diamine
CID 159043885
3-N-(9H-fluoren-2-yl)-3-N,18-N-diphenyl-18-N-(3-phenylphenyl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404188
18-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-18-N-[1-(4-phenylphenyl)naphthalen-2-yl]pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine
CID 171404354
N-(5-phenanthren-9-yl-2-phenylphenyl)-N-phenyldibenzofuran-3-amine
CID 167235145
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
9-methyl-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(3-phenylnaphthalen-2-yl)dibenzofuran-3-amine
CID 177098554
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 168790288

Frequently Asked Questions

What is the IUPAC name of 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The IUPAC name of 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine (CID 171404250) is 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine.
What is the SMILES notation for 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The canonical SMILES for 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is c1ccc(-c2cc3ccccc3cc2N(c2ccccc2)c2cccc3c2C24c5c(cccc5N(c5ccccc5)c5ccc6c(c5)oc5ccccc56)CC2CCC4C3)cc1.
What is the InChIKey of 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
The InChIKey is NKXAYIBLEFEWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N2O/c1-4-16-39(17-5-1)51-36-40-18-10-11-19-41(40)37-54(51)61(47-24-8-3-9-25-47)53-28-15-21-43-35-45-31-30-44-34-42-20-14-27-52(57(42)59(44,45)58(43)53)60(46-22-6-2-7-23-46)48-32-33-50-49-26-12-13-29-55(49)62-56(50)38-48/h1-29,32-33,36-38,44-45H,30-31,34-35H2.
What are the key properties of 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine?
3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine has a molecular weight of 797.01 g/mol, XLogP of 15.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-dibenzofuran-3-yl-3-N,18-N-diphenyl-18-N-(3-phenylnaphthalen-2-yl)pentacyclo[10.7.0.01,9.02,7.014,19]nonadeca-2(7),3,5,14(19),15,17-hexaene-3,18-diamine is sourced from PubChem (CID 171404250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).