12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine

C52H34N2O2 — CID 168855706

IUPAC12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(cccc35)-c3cccc(N(c5ccccc5)c5ccccc5)c3O4)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O2/c1-4-15-35(16-5-1)36-29-31-39(32-30-36)54(47-27-13-23-42-40-21-10-11-28-48(40)55-51(42)47)45-33-34-49-50-41(22-12-25-44(45)50)43-24-14-26-46(52(43)56-49)53(37-17-6-2-7-18-37)38-19-8-3-9-20-38/h1-34H
InChIKeyRTJPQICDJRZUJQ-UHFFFAOYSA-N
MW718.86 g/mol
LogP15.12
Rot. Bonds7

About 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine

12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine (PubChem CID 168855706) has the molecular formula C52H34N2O2 and a molecular weight of 718.86 g/mol. Its IUPAC name is 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine.

Molecular Properties

Compound Name12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
PubChem CID168855706
Molecular FormulaC52H34N2O2
Molecular Weight718.86 g/mol
Exact Mass718.26
IUPAC Name12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c5c(cccc35)-c3cccc(N(c5ccccc5)c5ccccc5)c3O4)c3cccc4c3oc3ccccc34)cc2)cc1
InChIInChI=1S/C52H34N2O2/c1-4-15-35(16-5-1)36-29-31-39(32-30-36)54(47-27-13-23-42-40-21-10-11-28-48(40)55-51(42)47)45-33-34-49-50-41(22-12-25-44(45)50)43-24-14-26-46(52(43)56-49)53(37-17-6-2-7-18-37)38-19-8-3-9-20-38/h1-34H
InChIKeyRTJPQICDJRZUJQ-UHFFFAOYSA-N
XLogP15.12
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine with MolForge

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Related Compounds

12-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-6-N,6-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855974
6-N,6-N,12-N-triphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine
CID 168855927
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126595
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-phenyldibenzofuran-4-amine
CID 122493254
10-N-dibenzofuran-4-yl-5-N,5-N-diphenyl-10-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168856007
12-N-(4-dibenzofuran-4-ylphenyl)-3-N,3-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene-3,12-diamine
CID 168855917
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
5-N-dibenzofuran-4-yl-5-N,14-N,14-N-triphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene-5,14-diamine
CID 122473491
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
4-N,12-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,12-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855820
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557

Frequently Asked Questions

What is the IUPAC name of 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine?
The IUPAC name of 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine (CID 168855706) is 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine.
What is the SMILES notation for 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine?
The canonical SMILES for 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine is c1ccc(-c2ccc(N(c3ccc4c5c(cccc35)-c3cccc(N(c5ccccc5)c5ccccc5)c3O4)c3cccc4c3oc3ccccc34)cc2)cc1.
What is the InChIKey of 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine?
The InChIKey is RTJPQICDJRZUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O2/c1-4-15-35(16-5-1)36-29-31-39(32-30-36)54(47-27-13-23-42-40-21-10-11-28-48(40)55-51(42)47)45-33-34-49-50-41(22-12-25-44(45)50)43-24-14-26-46(52(43)56-49)53(37-17-6-2-7-18-37)38-19-8-3-9-20-38/h1-34H.
What are the key properties of 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine?
12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine has a molecular weight of 718.86 g/mol, XLogP of 15.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-N-dibenzofuran-4-yl-6-N,6-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-6,12-diamine is sourced from PubChem (CID 168855706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).