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

C134H84N4O4 — CID 159384397

IUPAC5-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
SMILESCc1ccc(N(c2ccc3c(ccc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc5c34)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)ccc1ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8ccc9ccccc9c8c7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C74H44N2O2.C60H40N2O2/c1-3-15-54-45(13-1)27-29-47-31-34-51(42-65(47)54)75(68-23-11-21-63-59-18-7-9-25-70(59)77-73(63)68)50-36-39-56-49(41-50)33-38-62-58-40-37-53(44-67(58)57-17-5-6-20-61(57)72(56)62)76(69-24-12-22-64-60-19-8-10-26-71(60)78-74(64)69)52-35-32-48-30-28-46-14-2-4-16-55(46)66(48)43-52;1-37-21-26-40(27-22-37)61(54-17-9-15-51-47-12-5-7-19-56(47)63-59(51)54)42-30-33-44-39(35-42)25-32-50-46-34-31-43(36-53(46)45-11-3-4-14-49(45)58(44)50)62(41-28-23-38(2)24-29-41)55-18-10-16-52-48-13-6-8-20-57(48)64-60(52)55/h1-44H;3-36H,1-2H3
InChIKeyLLHUZXFNIGAORP-UHFFFAOYSA-N
MW1814.17 g/mol
LogP39.31
Rot. Bonds12

About 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

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 (PubChem CID 159384397) has the molecular formula C134H84N4O4 and a molecular weight of 1814.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID159384397
Molecular FormulaC134H84N4O4
Molecular Weight1814.17 g/mol
Exact Mass1812.65
IUPAC Name5-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
SMILESCc1ccc(N(c2ccc3c(ccc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc5c34)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)ccc1ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8ccc9ccccc9c8c7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc12
InChIInChI=1S/C74H44N2O2.C60H40N2O2/c1-3-15-54-45(13-1)27-29-47-31-34-51(42-65(47)54)75(68-23-11-21-63-59-18-7-9-25-70(59)77-73(63)68)50-36-39-56-49(41-50)33-38-62-58-40-37-53(44-67(58)57-17-5-6-20-61(57)72(56)62)76(69-24-12-22-64-60-19-8-10-26-71(60)78-74(64)69)52-35-32-48-30-28-46-14-2-4-16-55(46)66(48)43-52;1-37-21-26-40(27-22-37)61(54-17-9-15-51-47-12-5-7-19-56(47)63-59(51)54)42-30-33-44-39(35-42)25-32-50-46-34-31-43(36-53(46)45-11-3-4-14-49(45)58(44)50)62(41-28-23-38(2)24-29-41)55-18-10-16-52-48-13-6-8-20-57(48)64-60(52)55/h1-44H;3-36H,1-2H3
InChIKeyLLHUZXFNIGAORP-UHFFFAOYSA-N
XLogP39.31
TPSA65.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms142
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001814.17
LogP ≤ 539.31
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-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 with MolForge

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Related Compounds

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
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(4-methylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260388
N-benzo[g]phenanthren-3-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167182773
N-(4-methylphenyl)-N-naphtho[2,1-b][1]benzothiol-9-yldibenzofuran-4-amine
CID 90263564
N-(4-naphthalen-2-ylphenyl)-N-phenanthren-3-yldibenzofuran-4-amine
CID 168809708
N-chrysen-1-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 170130871
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-phenanthren-2-yl-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-1-amine
CID 167277912
N-phenanthren-3-yl-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-2-amine
CID 167277186
3-N-dibenzofuran-4-yl-10-N,10-N-diphenyl-3-N-(4-phenylphenyl)phenanthrene-3,10-diamine
CID 170283931
N-(4-phenanthren-9-ylphenyl)-N-[3-[7-(9-phenylphenanthren-2-yl)phenanthren-3-yl]phenyl]dibenzofuran-4-amine
CID 154936079
N-phenanthren-1-yl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 118369410

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(N(c2ccc3c(ccc4c5ccc(N(c6ccc(C)cc6)c6cccc7c6oc6ccccc67)cc5c5ccccc5c34)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc2c(c1)ccc1ccc(N(c3ccc4c(ccc5c6ccc(N(c7ccc8ccc9ccccc9c8c7)c7cccc8c7oc7ccccc78)cc6c6ccccc6c45)c3)c3cccc4c3oc3ccccc34)cc12.
What is the InChIKey of 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?
The InChIKey is LLHUZXFNIGAORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H44N2O2.C60H40N2O2/c1-3-15-54-45(13-1)27-29-47-31-34-51(42-65(47)54)75(68-23-11-21-63-59-18-7-9-25-70(59)77-73(63)68)50-36-39-56-49(41-50)33-38-62-58-40-37-53(44-67(58)57-17-5-6-20-61(57)72(56)62)76(69-24-12-22-64-60-19-8-10-26-71(60)78-74(64)69)52-35-32-48-30-28-46-14-2-4-16-55(46)66(48)43-52;1-37-21-26-40(27-22-37)61(54-17-9-15-51-47-12-5-7-19-56(47)63-59(51)54)42-30-33-44-39(35-42)25-32-50-46-34-31-43(36-53(46)45-11-3-4-14-49(45)58(44)50)62(41-28-23-38(2)24-29-41)55-18-10-16-52-48-13-6-8-20-57(48)64-60(52)55/h1-44H;3-36H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1814.17 g/mol, XLogP of 39.31, 12 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-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 is sourced from PubChem (CID 159384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).