11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine

C64H42N2O2 — CID 166900401

IUPAC11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5c6c(cccc6c4)-c4cc(N(c6ccccc6)c6ccccc6)ccc4O5)cc3)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-4-14-43(15-5-1)44-26-28-45(29-27-44)46-30-34-51(35-31-46)66(52-36-32-47(33-37-52)55-22-13-24-58-56-21-10-11-25-60(56)68-64(55)58)54-40-48-16-12-23-57-59-41-53(38-39-61(59)67-62(42-54)63(48)57)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-42H
InChIKeyZXMAIPHUFRQRRJ-UHFFFAOYSA-N
MW871.05 g/mol
LogP18.45
Rot. Bonds9

About 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine

11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine (PubChem CID 166900401) has the molecular formula C64H42N2O2 and a molecular weight of 871.05 g/mol. Its IUPAC name is 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine.

Molecular Properties

Compound Name11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine
PubChem CID166900401
Molecular FormulaC64H42N2O2
Molecular Weight871.05 g/mol
Exact Mass870.32
IUPAC Name11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5c6c(cccc6c4)-c4cc(N(c6ccccc6)c6ccccc6)ccc4O5)cc3)cc2)cc1
InChIInChI=1S/C64H42N2O2/c1-4-14-43(15-5-1)44-26-28-45(29-27-44)46-30-34-51(35-31-46)66(52-36-32-47(33-37-52)55-22-13-24-58-56-21-10-11-25-60(56)68-64(55)58)54-40-48-16-12-23-57-59-41-53(38-39-61(59)67-62(42-54)63(48)57)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-42H
InChIKeyZXMAIPHUFRQRRJ-UHFFFAOYSA-N
XLogP18.45
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.05
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N,4-N,11-N,11-N-tetrakis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,11-diamine
CID 166900445
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
4-N-(4-dibenzofuran-4-ylphenyl)-10-N,10-N-diphenyl-4-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168855688
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762
4-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-4-N,10-N-bis(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 166900814
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
3,5-di(dibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline;bis(N-[3,5-di(dibenzofuran-4-yl)phenyl]-N-phenylnaphthalen-2-amine);3,5-di(dibenzofuran-4-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 160923165
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
3-N-dibenzofuran-2-yl-1-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 118605105
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463

Frequently Asked Questions

What is the IUPAC name of 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine?
The IUPAC name of 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine (CID 166900401) is 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine.
What is the SMILES notation for 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine?
The canonical SMILES for 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cc5c6c(cccc6c4)-c4cc(N(c6ccccc6)c6ccccc6)ccc4O5)cc3)cc2)cc1.
What is the InChIKey of 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine?
The InChIKey is ZXMAIPHUFRQRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O2/c1-4-14-43(15-5-1)44-26-28-45(29-27-44)46-30-34-51(35-31-46)66(52-36-32-47(33-37-52)55-22-13-24-58-56-21-10-11-25-60(56)68-64(55)58)54-40-48-16-12-23-57-59-41-53(38-39-61(59)67-62(42-54)63(48)57)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-42H.
What are the key properties of 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine?
11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine has a molecular weight of 871.05 g/mol, XLogP of 18.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-N-diphenyl-11-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-4,11-diamine is sourced from PubChem (CID 166900401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).