4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

C66H50N2O3 — CID 90263193

IUPAC4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESc1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/C66H50N2O3/c1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h1-6,11-18,23-42H,7-10,19-22H2
InChIKeySTQKNDBBXCHVKW-UHFFFAOYSA-N
MW919.14 g/mol
LogP19.95
Rot. Bonds8

About 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine

4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (PubChem CID 90263193) has the molecular formula C66H50N2O3 and a molecular weight of 919.14 g/mol. Its IUPAC name is 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.

Molecular Properties

Compound Name4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
PubChem CID90263193
Molecular FormulaC66H50N2O3
Molecular Weight919.14 g/mol
Exact Mass918.38
IUPAC Name4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
SMILESc1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1
InChIInChI=1S/C66H50N2O3/c1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h1-6,11-18,23-42H,7-10,19-22H2
InChIKeySTQKNDBBXCHVKW-UHFFFAOYSA-N
XLogP19.95
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 519.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine with MolForge

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Related Compounds

9-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-9-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,20-diamine
CID 90263048
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 160963441
4-N,20-N-bis(6-cyclohexyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(4-fluorophenyl)-4-N,20-N-bis(6-methyldibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-methyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 158493634
8-[4-cyclopentyl-6-(N-[20-(N-(6-cyclopentyldibenzofuran-4-yl)-3-phenylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]-3-phenylanilino)dibenzofuran-1-yl]-4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-4,20-diamine
CID 167090878
9-N,15-N-bis(6-cyclohexyldibenzofuran-4-yl)-9-N,15-N-bis(4-fluorophenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263304
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(3-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine;4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-bis(2-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 159568171
6-cyclopentyl-N-methyl-N-phenyldibenzofuran-4-amine
CID 138456793
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N-(3-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262741
5-N,22-N-bis(6-cyclohexyldibenzofuran-4-yl)-25,25-dimethyl-5-N,22-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene-5,22-diamine
CID 121430685
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262742
13-N,28-N-bis(6-cyclohexyldibenzofuran-4-yl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506898
9-N,17-N-bis(6-cyclohexyldibenzofuran-4-yl)-12,12-dimethyl-9-N,17-N-diphenylpentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,17-diamine
CID 90140354

Frequently Asked Questions

What is the IUPAC name of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The IUPAC name of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine (CID 90263193) is 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine.
What is the SMILES notation for 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The canonical SMILES for 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is c1ccc(N(c2cc3c4cc(N(c5ccccc5)c5cccc6c5oc5c(C7CCCC7)cccc56)c5ccccc5c4oc3c3ccccc23)c2cccc3c2oc2c(C4CCCC4)cccc23)cc1.
What is the InChIKey of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
The InChIKey is STQKNDBBXCHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50N2O3/c1-3-23-43(24-4-1)67(57-37-17-35-53-51-33-15-31-45(41-19-7-8-20-41)61(51)70-65(53)57)59-39-55-56-40-60(48-28-12-14-30-50(48)64(56)69-63(55)49-29-13-11-27-47(49)59)68(44-25-5-2-6-26-44)58-38-18-36-54-52-34-16-32-46(42-21-9-10-22-42)62(52)71-66(54)58/h1-6,11-18,23-42H,7-10,19-22H2.
What are the key properties of 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine?
4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine has a molecular weight of 919.14 g/mol, XLogP of 19.95, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,20-N-bis(6-cyclopentyldibenzofuran-4-yl)-4-N,20-N-diphenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine is sourced from PubChem (CID 90263193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).