15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene

C70H52N2O2 — CID 167207881

IUPAC15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene
SMILESCc1ccc2ccc3c4cc5c(CC(C)C)cc6c7c(cc8c(CC(C)C)cc(c4c8c57)n(-c4cccc5c4oc4ccccc45)c3c2c1)c1ccc2ccc(C)cc2c1n6-c1cccc2c1oc1ccccc12
InChIInChI=1S/C70H52N2O2/c1-37(2)29-43-33-59-63-56(48-28-26-41-23-21-39(5)31-53(41)67(48)71(59)57-17-11-15-49-45-13-7-9-19-61(45)73-69(49)57)36-52-44(30-38(3)4)34-60-64-55(35-51(43)65(63)66(52)64)47-27-25-42-24-22-40(6)32-54(42)68(47)72(60)58-18-12-16-50-46-14-8-10-20-62(46)74-70(50)58/h7-28,31-38H,29-30H2,1-6H3
InChIKeyCAHCNLCVSXINEA-UHFFFAOYSA-N
MW953.20 g/mol
LogP19.90
Rot. Bonds6

About 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene

15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene (PubChem CID 167207881) has the molecular formula C70H52N2O2 and a molecular weight of 953.20 g/mol. Its IUPAC name is 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene.

Molecular Properties

Compound Name15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene
PubChem CID167207881
Molecular FormulaC70H52N2O2
Molecular Weight953.20 g/mol
Exact Mass952.40
IUPAC Name15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene
SMILESCc1ccc2ccc3c4cc5c(CC(C)C)cc6c7c(cc8c(CC(C)C)cc(c4c8c57)n(-c4cccc5c4oc4ccccc45)c3c2c1)c1ccc2ccc(C)cc2c1n6-c1cccc2c1oc1ccccc12
InChIInChI=1S/C70H52N2O2/c1-37(2)29-43-33-59-63-56(48-28-26-41-23-21-39(5)31-53(41)67(48)71(59)57-17-11-15-49-45-13-7-9-19-61(45)73-69(49)57)36-52-44(30-38(3)4)34-60-64-55(35-51(43)65(63)66(52)64)47-27-25-42-24-22-40(6)32-54(42)68(47)72(60)58-18-12-16-50-46-14-8-10-20-62(46)74-70(50)58/h7-28,31-38H,29-30H2,1-6H3
InChIKeyCAHCNLCVSXINEA-UHFFFAOYSA-N
XLogP19.90
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.20
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene with MolForge

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Related Compounds

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CID 126501186
18-dibenzofuran-4-yl-5-ethenyl-6-methyl-3-oxa-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.022,27]octacosa-1(17),2(10),4(9),5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 145373964
11-methyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaene
CID 144743872
11-dibenzofuran-4-yl-8-[9-(3-phenylphenyl)carbazol-3-yl]benzo[a]carbazole
CID 167243675
5-dibenzofuran-4-yl-12-naphthalen-2-ylindolo[3,2-c]carbazole
CID 167029640
9-N,23-N-di(dibenzofuran-4-yl)-9-N,23-N-bis(3-methylphenyl)-14,18-diphenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1(17),2,4(13),5,7(12),8,10,15,19(28),20(25),21,23,26-tridecaene-9,23-diamine
CID 163492549
2-[(2-carbazol-9-yldibenzofuran-4-yl)methyl]-9-(8-methyldibenzofuran-4-yl)carbazole
CID 130359021
8-(9-dibenzofuran-4-ylcarbazol-3-yl)-11-(3-phenylphenyl)benzo[a]carbazole
CID 167243442
12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[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 153487441
12-dibenzofuran-1-yl-5-dibenzofuran-4-ylindolo[3,2-c]carbazole
CID 168744311
12-dibenzofuran-4-yl-9-N,15-N-bis(2-methylphenyl)-9-N,15-N-diphenyl-12-azapentacyclo[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 153487481
31-oxa-1,5-diazadodecacyclo[22.17.1.15,16.02,23.04,21.06,15.09,14.028,42.029,41.030,38.032,37.020,43]tritetraconta-2(23),3,6(15),7,9,11,13,16,18,20(43),21,24(42),25,27,29(41),30(38),32,34,36,39-icosaene
CID 162480140

Frequently Asked Questions

What is the IUPAC name of 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene?
The IUPAC name of 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene (CID 167207881) is 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene.
What is the SMILES notation for 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene?
The canonical SMILES for 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene is Cc1ccc2ccc3c4cc5c(CC(C)C)cc6c7c(cc8c(CC(C)C)cc(c4c8c57)n(-c4cccc5c4oc4ccccc45)c3c2c1)c1ccc2ccc(C)cc2c1n6-c1cccc2c1oc1ccccc12.
What is the InChIKey of 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene?
The InChIKey is CAHCNLCVSXINEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H52N2O2/c1-37(2)29-43-33-59-63-56(48-28-26-41-23-21-39(5)31-53(41)67(48)71(59)57-17-11-15-49-45-13-7-9-19-61(45)73-69(49)57)36-52-44(30-38(3)4)34-60-64-55(35-51(43)65(63)66(52)64)47-27-25-42-24-22-40(6)32-54(42)68(47)72(60)58-18-12-16-50-46-14-8-10-20-62(46)74-70(50)58/h7-28,31-38H,29-30H2,1-6H3.
What are the key properties of 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene?
15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene has a molecular weight of 953.20 g/mol, XLogP of 19.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15,32-di(dibenzofuran-4-yl)-11,28-dimethyl-18,35-bis(2-methylpropyl)-15,32-diazadecacyclo[19.15.1.14,36.02,19.03,16.05,14.08,13.022,31.025,30.033,37]octatriaconta-1(36),2(19),3(16),4(38),5(14),6,8(13),9,11,17,20,22(31),23,25(30),26,28,33(37),34-octadecaene is sourced from PubChem (CID 167207881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).