5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

C136H84N4O4 — CID 159519229

IUPAC5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc2c(N(c3ccc4c(ccc5c6ccc(N(c7cccc8ccccc78)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C70H44N2O2.C66H40N2O2/c1-3-15-45(16-4-1)47-29-34-50(35-30-47)71(64-25-13-23-61-57-20-9-11-27-66(57)73-69(61)64)52-38-41-54-49(43-52)33-40-60-56-42-39-53(44-63(56)55-19-7-8-22-59(55)68(54)60)72(51-36-31-48(32-37-51)46-17-5-2-6-18-46)65-26-14-24-62-58-21-10-12-28-67(58)74-70(62)65;1-3-19-46-41(15-1)17-11-27-58(46)67(60-29-13-25-55-51-22-7-9-31-62(51)69-65(55)60)44-34-37-48-43(39-44)33-36-54-50-38-35-45(40-57(50)49-21-5-6-24-53(49)64(48)54)68(59-28-12-18-42-16-2-4-20-47(42)59)61-30-14-26-56-52-23-8-10-32-63(52)70-66(56)61/h1-44H;1-40H
InChIKeyMBPCUSLMVMYEQK-UHFFFAOYSA-N
MW1838.19 g/mol
LogP39.72
Rot. Bonds14

About 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine

5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (PubChem CID 159519229) has the molecular formula C136H84N4O4 and a molecular weight of 1838.19 g/mol. Its IUPAC name is 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.

Molecular Properties

Compound Name5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
PubChem CID159519229
Molecular FormulaC136H84N4O4
Molecular Weight1838.19 g/mol
Exact Mass1836.65
IUPAC Name5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc2c(N(c3ccc4c(ccc5c6ccc(N(c7cccc8ccccc78)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cccc2c1
InChIInChI=1S/C70H44N2O2.C66H40N2O2/c1-3-15-45(16-4-1)47-29-34-50(35-30-47)71(64-25-13-23-61-57-20-9-11-27-66(57)73-69(61)64)52-38-41-54-49(43-52)33-40-60-56-42-39-53(44-63(56)55-19-7-8-22-59(55)68(54)60)72(51-36-31-48(32-37-51)46-17-5-2-6-18-46)65-26-14-24-62-58-21-10-12-28-67(58)74-70(62)65;1-3-19-46-41(15-1)17-11-27-58(46)67(60-29-13-25-55-51-22-7-9-31-62(51)69-65(55)60)44-34-37-48-43(39-44)33-36-54-50-38-35-45(40-57(50)49-21-5-6-24-53(49)64(48)54)68(59-28-12-18-42-16-2-4-20-47(42)59)61-30-14-26-56-52-23-8-10-32-63(52)70-66(56)61/h1-44H;1-40H
InChIKeyMBPCUSLMVMYEQK-UHFFFAOYSA-N
XLogP39.72
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001838.19
LogP ≤ 539.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine with MolForge

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Related Compounds

N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-di(phenanthren-3-yl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 159384397
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410
N-[4-[4-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]dibenzofuran-4-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 157350429
5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N,18-N-bis(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N-dibenzofuran-3-yl-18-N-dibenzofuran-4-yl-5-N-phenyl-18-N-(2-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine
CID 160905734
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-dibenzofuran-3-yl-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804045
2-N,6-N-di(dibenzofuran-4-yl)-2-N,6-N-dinaphthalen-1-yl-9,10-diphenylanthracene-2,6-diamine
CID 89254464
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-dibenzofuran-2-yl-N,3-diphenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 177131058
N-[4-[7-[5-[3-[2-[dibenzofuran-4-yl(phenanthren-2-yl)amino]phenyl]phenyl]naphthalen-1-yl]triphenylen-2-yl]phenyl]-N-[2-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170014502

Frequently Asked Questions

What is the IUPAC name of 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The IUPAC name of 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine (CID 159519229) is 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine.
What is the SMILES notation for 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The canonical SMILES for 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is c1ccc(-c2ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc(-c8ccccc8)cc7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc2)cc1.c1ccc2c(N(c3ccc4c(ccc5c6ccc(N(c7cccc8ccccc78)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cccc2c1.
What is the InChIKey of 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
The InChIKey is MBPCUSLMVMYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N2O2.C66H40N2O2/c1-3-15-45(16-4-1)47-29-34-50(35-30-47)71(64-25-13-23-61-57-20-9-11-27-66(57)73-69(61)64)52-38-41-54-49(43-52)33-40-60-56-42-39-53(44-63(56)55-19-7-8-22-59(55)68(54)60)72(51-36-31-48(32-37-51)46-17-5-2-6-18-46)65-26-14-24-62-58-21-10-12-28-67(58)74-70(62)65;1-3-19-46-41(15-1)17-11-27-58(46)67(60-29-13-25-55-51-22-7-9-31-62(51)69-65(55)60)44-34-37-48-43(39-44)33-36-54-50-38-35-45(40-57(50)49-21-5-6-24-53(49)64(48)54)68(59-28-12-18-42-16-2-4-20-47(42)59)61-30-14-26-56-52-23-8-10-32-63(52)70-66(56)61/h1-44H;1-40H.
What are the key properties of 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine?
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine has a molecular weight of 1838.19 g/mol, XLogP of 39.72, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-phenylphenyl)pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine;5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-dinaphthalen-1-ylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21-undecaene-5,18-diamine is sourced from PubChem (CID 159519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).