1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene

C64H41N3O — CID 171402930

IUPAC1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene
SMILESCC12c3ccccc3C(C)(c3ccccc31)c1c2ncc2c1c1cc(-c3c4ccccc4cc4c3oc3ccccc34)cc3c4c5c(ncc4n2c13)C1(C)c2ccccc2C5(C)c2ccccc21
InChIInChI=1S/C64H41N3O/c1-61-41-20-8-12-24-45(41)63(3,46-25-13-9-21-42(46)61)59-55(61)53-39-30-35(52-36-18-6-5-17-34(36)29-38-37-19-7-16-28-51(37)68-58(38)52)31-40-54-50(67(57(39)40)49(53)32-65-59)33-66-60-56(54)62(2)43-22-10-14-26-47(43)64(60,4)48-27-15-11-23-44(48)62/h5-33H,1-4H3
InChIKeyIXRDXRAHPNCKOH-UHFFFAOYSA-N
MW868.05 g/mol
LogP15.02
Rot. Bonds1

About 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene

1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene (PubChem CID 171402930) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene.

Molecular Properties

Compound Name1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene
PubChem CID171402930
Molecular FormulaC64H41N3O
Molecular Weight868.05 g/mol
Exact Mass867.32
IUPAC Name1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene
SMILESCC12c3ccccc3C(C)(c3ccccc31)c1c2ncc2c1c1cc(-c3c4ccccc4cc4c3oc3ccccc34)cc3c4c5c(ncc4n2c13)C1(C)c2ccccc2C5(C)c2ccccc21
InChIInChI=1S/C64H41N3O/c1-61-41-20-8-12-24-45(41)63(3,46-25-13-9-21-42(46)61)59-55(61)53-39-30-35(52-36-18-6-5-17-34(36)29-38-37-19-7-16-28-51(37)68-58(38)52)31-40-54-50(67(57(39)40)49(53)32-65-59)33-66-60-56(54)62(2)43-22-10-14-26-47(43)64(60,4)48-27-15-11-23-44(48)62/h5-33H,1-4H3
InChIKeyIXRDXRAHPNCKOH-UHFFFAOYSA-N
XLogP15.02
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene with MolForge

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Related Compounds

1,11,25,35-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-27,30,33-triazatetradecacyclo[33.6.6.14,8.02,34.03,31.09,29.010,26.011,18.012,17.018,25.019,24.036,41.042,47.030,48]octatetraconta-2,4(48),5,7,9,12,14,16,19,21,23,26,28,31,33,36,38,40,42,44,46-henicosaene
CID 164528228
9,9-dimethyl-N-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)-N-phenylfluoren-3-amine
CID 164799796
27-dibenzofuran-2-yl-6-oxa-1-azaoctacyclo[17.10.1.02,18.04,16.05,13.07,12.023,30.024,29]triaconta-2(18),3,5(13),7,9,11,14,16,19,21,23(30),24(29),25,27-tetradecaene
CID 134434013
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
5,15-di(dibenzofuran-4-yl)-1,4,16-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8(19),9,11,13,15,17-nonaene
CID 164528112
7-(1,3-diphenyldibenzofuran-4-yl)-1,13,20,30-tetramethyl-25-azatridecacyclo[28.6.6.613,20.15,25.02,28.04,26.010,24.012,22.014,19.031,36.037,42.09,43.044,49]nonatetraconta-2(28),3,5,7,9(43),10,12(22),14,16,18,23,26,31,33,35,37,39,41,44,46,48-henicosaene-21,29-dione
CID 167125422
6-[7-(10-phenylanthracen-9-yl)dibenzofuran-3-yl]naphtho[2,3-b][1]benzofuran
CID 122425709
16-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.017,22]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
CID 130185529
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957
2-dibenzofuran-1-yl-4-phenyl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170211813
N,N,6-tris(9,9-dimethylfluoren-2-yl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295606
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole;propane
CID 142570201

Frequently Asked Questions

What is the IUPAC name of 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene?
The IUPAC name of 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene (CID 171402930) is 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene.
What is the SMILES notation for 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene?
The canonical SMILES for 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene is CC12c3ccccc3C(C)(c3ccccc31)c1c2ncc2c1c1cc(-c3c4ccccc4cc4c3oc3ccccc34)cc3c4c5c(ncc4n2c13)C1(C)c2ccccc2C5(C)c2ccccc21.
What is the InChIKey of 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene?
The InChIKey is IXRDXRAHPNCKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-61-41-20-8-12-24-45(41)63(3,46-25-13-9-21-42(46)61)59-55(61)53-39-30-35(52-36-18-6-5-17-34(36)29-38-37-19-7-16-28-51(37)68-58(38)52)31-40-54-50(67(57(39)40)49(53)32-65-59)33-66-60-56(54)62(2)43-22-10-14-26-47(43)64(60,4)48-27-15-11-23-44(48)62/h5-33H,1-4H3.
What are the key properties of 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene?
1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene has a molecular weight of 868.05 g/mol, XLogP of 15.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11,18,28-tetramethyl-6-naphtho[2,3-b][1]benzofuran-6-yl-20,23,26-triazatridecacyclo[26.6.6.611,18.14,23.02,27.03,24.09,22.010,19.012,17.029,34.035,40.08,41.042,47]heptatetraconta-2,4(41),5,7,9,12,14,16,19,21,24,26,29,31,33,35,37,39,42,44,46-henicosaene is sourced from PubChem (CID 171402930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).