16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine

C56H36N2O3 — CID 118030252

IUPAC16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
SMILESC1=C2c3ccc4c5c(ccc(c35)OC2CC(N(c2ccc3ccccc3c2)c2ccc3oc5ccccc5c3c2)=C1)-c1ccc(N(c2ccccc2)c2ccccc2)cc1O4
InChIInChI=1S/C56H36N2O3/c1-3-13-37(14-4-1)57(38-15-5-2-6-16-38)41-21-24-44-46-26-30-52-56-47(27-29-51(55(46)56)60-53(44)33-41)45-25-22-42(34-54(45)61-52)58(39-20-19-35-11-7-8-12-36(35)31-39)40-23-28-50-48(32-40)43-17-9-10-18-49(43)59-50/h1-33,54H,34H2
InChIKeyLWKXAEGUEGJCBN-UHFFFAOYSA-N
MW784.92 g/mol
LogP15.41
Rot. Bonds6

About 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine

16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine (PubChem CID 118030252) has the molecular formula C56H36N2O3 and a molecular weight of 784.92 g/mol. Its IUPAC name is 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine.

Molecular Properties

Compound Name16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
PubChem CID118030252
Molecular FormulaC56H36N2O3
Molecular Weight784.92 g/mol
Exact Mass784.27
IUPAC Name16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine
SMILESC1=C2c3ccc4c5c(ccc(c35)OC2CC(N(c2ccc3ccccc3c2)c2ccc3oc5ccccc5c3c2)=C1)-c1ccc(N(c2ccccc2)c2ccccc2)cc1O4
InChIInChI=1S/C56H36N2O3/c1-3-13-37(14-4-1)57(38-15-5-2-6-16-38)41-21-24-44-46-26-30-52-56-47(27-29-51(55(46)56)60-53(44)33-41)45-25-22-42(34-54(45)61-52)58(39-20-19-35-11-7-8-12-36(35)31-39)40-23-28-50-48(32-40)43-17-9-10-18-49(43)59-50/h1-33,54H,34H2
InChIKeyLWKXAEGUEGJCBN-UHFFFAOYSA-N
XLogP15.41
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.92
LogP ≤ 515.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine with MolForge

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Related Compounds

14-bis(2-methylphenyl)boranyl-N-dibenzofuran-2-yl-N-naphthalen-2-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaen-5-amine
CID 140727282
6-N,17-N-di(dibenzofuran-2-yl)-6-N,17-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166032207
N,N-diphenyldibenzofuran-2-amine
CID 58038469
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N-phenyldibenzofuran-2-amine
CID 174256821
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-5-amine
CID 170182999
N-(2-naphthalen-2-ylnaphthalen-1-yl)-N-phenyldibenzofuran-2-amine
CID 176587535
N-(8-naphthalen-2-ylnaphthalen-2-yl)-N-phenyldibenzofuran-2-amine
CID 176588075
N-dibenzofuran-2-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 121325434
8-N-dibenzofuran-3-yl-8-N-(4-naphthalen-2-ylphenyl)-2-N,2-N-diphenyldibenzofuran-2,8-diamine
CID 146576029
2-N-(5-methyl-4-phenylcyclohexa-1,3-dien-1-yl)-2-N,8-N,8-N-tris(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 167215023
5-bromo-3-N-dibenzofuran-2-yl-1-N-naphthalen-2-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122552089
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-2-amine
CID 118405802

Frequently Asked Questions

What is the IUPAC name of 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine?
The IUPAC name of 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine (CID 118030252) is 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine.
What is the SMILES notation for 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine?
The canonical SMILES for 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine is C1=C2c3ccc4c5c(ccc(c35)OC2CC(N(c2ccc3ccccc3c2)c2ccc3oc5ccccc5c3c2)=C1)-c1ccc(N(c2ccccc2)c2ccccc2)cc1O4.
What is the InChIKey of 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine?
The InChIKey is LWKXAEGUEGJCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O3/c1-3-13-37(14-4-1)57(38-15-5-2-6-16-38)41-21-24-44-46-26-30-52-56-47(27-29-51(55(46)56)60-53(44)33-41)45-25-22-42(34-54(45)61-52)58(39-20-19-35-11-7-8-12-36(35)31-39)40-23-28-50-48(32-40)43-17-9-10-18-49(43)59-50/h1-33,54H,34H2.
What are the key properties of 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine?
16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine has a molecular weight of 784.92 g/mol, XLogP of 15.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 16-N-dibenzofuran-2-yl-16-N-naphthalen-2-yl-5-N,5-N-diphenyl-8,19-dioxahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,5,9,11,13,15,20(24),21-decaene-5,16-diamine is sourced from PubChem (CID 118030252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).