11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine

C64H46N2O2 — CID 170258389

IUPAC11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine
SMILESC1=Cc2oc3c(C4=CCC(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6c7c(cccc7c5)-c5ccc(N(c7ccccc7)c7ccccc7)cc5O6)C=C4)cccc3c2CC1
InChIInChI=1S/C64H46N2O2/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)55-22-13-24-59-56-21-10-11-25-60(56)68-64(55)59)54-40-48-16-12-23-58-57-39-38-53(41-61(57)67-62(42-54)63(48)58)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-9,11-20,22-36,38-42,52H,10,21,37H2
InChIKeyXPKYIIUFMPZGDI-UHFFFAOYSA-N
MW875.08 g/mol
LogP17.67
Rot. Bonds9

About 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine

11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine (PubChem CID 170258389) has the molecular formula C64H46N2O2 and a molecular weight of 875.08 g/mol. Its IUPAC name is 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine.

Molecular Properties

Compound Name11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine
PubChem CID170258389
Molecular FormulaC64H46N2O2
Molecular Weight875.08 g/mol
Exact Mass874.36
IUPAC Name11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine
SMILESC1=Cc2oc3c(C4=CCC(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6c7c(cccc7c5)-c5ccc(N(c7ccccc7)c7ccccc7)cc5O6)C=C4)cccc3c2CC1
InChIInChI=1S/C64H46N2O2/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)55-22-13-24-59-56-21-10-11-25-60(56)68-64(55)59)54-40-48-16-12-23-58-57-39-38-53(41-61(57)67-62(42-54)63(48)58)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-9,11-20,22-36,38-42,52H,10,21,37H2
InChIKeyXPKYIIUFMPZGDI-UHFFFAOYSA-N
XLogP17.67
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.08
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine with MolForge

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Related Compounds

N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
12-N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-12-N-(4-dibenzofuran-4-ylphenyl)-4-N,4-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 168855472
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline;4-N,4-N-diphenyl-1-N-[4-(N-[4-(N-phenylanilino)phenyl]anilino)cyclohexa-2,4-dien-1-yl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158633743
N-[4-(8,9-dihydrodibenzofuran-4-yl)phenyl]-2-(2-naphthalen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)aniline
CID 170092461
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
10-(8,9-dihydrodibenzofuran-4-yl)-N-(2,3-dihydronaphthalen-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232450
9,9-dimethyl-2-N,2-N-diphenyl-7-N-(4-phenylcyclohexa-2,4-dien-1-yl)-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 167250657
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-(4-phenylcyclohexa-2,4-dien-1-yl)naphthalen-1-amine
CID 135299557
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
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 134504581
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)dibenzofuran-2-amine
CID 170250079
4-(4-butylphenyl)-N-(4-dibenzofuran-1-ylcyclohexa-2,4-dien-1-yl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)aniline
CID 170128535

Frequently Asked Questions

What is the IUPAC name of 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine?
The IUPAC name of 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine (CID 170258389) is 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine.
What is the SMILES notation for 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine?
The canonical SMILES for 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine is C1=Cc2oc3c(C4=CCC(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6c7c(cccc7c5)-c5ccc(N(c7ccccc7)c7ccccc7)cc5O6)C=C4)cccc3c2CC1.
What is the InChIKey of 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine?
The InChIKey is XPKYIIUFMPZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N2O2/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)55-22-13-24-59-56-21-10-11-25-60(56)68-64(55)59)54-40-48-16-12-23-58-57-39-38-53(41-61(57)67-62(42-54)63(48)58)65(49-17-6-2-7-18-49)50-19-8-3-9-20-50/h1-9,11-20,22-36,38-42,52H,10,21,37H2.
What are the key properties of 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine?
11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine has a molecular weight of 875.08 g/mol, XLogP of 17.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-N-[4-(8,9-dihydrodibenzofuran-4-yl)cyclohexa-2,4-dien-1-yl]-5-N,5-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-5,11-diamine is sourced from PubChem (CID 170258389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).