16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene

C70H69BN2O — CID 167392727

IUPAC16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene
SMILESCc1cc2c3c(c1)N(c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)c1ccccc1C3(C)C)C(C)(C)c1ccccc1C4(C)C
InChIInChI=1S/C70H69BN2O/c1-40-32-60-63-61(33-40)73(57-37-49-48(34-41(57)2)65(3,4)30-31-66(49,5)6)59-39-53-51(68(9,10)45-25-17-19-27-47(45)70(53,13)14)36-55(59)71(63)54-35-50-52(69(11,12)46-26-18-16-24-44(46)67(50,7)8)38-58(54)72(60)56-28-21-23-43-42-22-15-20-29-62(42)74-64(43)56/h15-29,32-39H,30-31H2,1-14H3
InChIKeySGGOJNGFHUJXAS-UHFFFAOYSA-N
MW965.15 g/mol
LogP16.56
Rot. Bonds2

About 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene

16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene (PubChem CID 167392727) has the molecular formula C70H69BN2O and a molecular weight of 965.15 g/mol. Its IUPAC name is 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene.

Molecular Properties

Compound Name16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene
PubChem CID167392727
Molecular FormulaC70H69BN2O
Molecular Weight965.15 g/mol
Exact Mass964.55
IUPAC Name16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene
SMILESCc1cc2c3c(c1)N(c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)c1ccccc1C3(C)C)C(C)(C)c1ccccc1C4(C)C
InChIInChI=1S/C70H69BN2O/c1-40-32-60-63-61(33-40)73(57-37-49-48(34-41(57)2)65(3,4)30-31-66(49,5)6)59-39-53-51(68(9,10)45-25-17-19-27-47(45)70(53,13)14)36-55(59)71(63)54-35-50-52(69(11,12)46-26-18-16-24-44(46)67(50,7)8)38-58(54)72(60)56-28-21-23-43-42-22-15-20-29-62(42)74-64(43)56/h15-29,32-39H,30-31H2,1-14H3
InChIKeySGGOJNGFHUJXAS-UHFFFAOYSA-N
XLogP16.56
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.15
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene with MolForge

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Related Compounds

11-dibenzofuran-4-yl-5,5,7,7,14,21,21,23,23-nonamethyl-17-(3,9,9,10,10-pentamethylanthracen-2-yl)-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2,4(8),9,12(27),13,15,18,20(24),25-nonaene
CID 167391721
16-dibenzofuran-4-yl-5,5,12,12,19,26,26,29,29-nonamethyl-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boraoctacyclo[15.15.1.02,15.04,13.06,11.021,33.023,32.025,30]tritriaconta-2,4(13),6,8,10,14,17,19,21(33),23,25(30),31-dodecaene
CID 163807114
22-tert-butyl-12-dibenzofuran-4-yl-5,5,8,8,15-pentamethyl-18-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene
CID 167392794
17-dibenzofuran-1-yl-5,5,7,7,14,21,21,24,24-nonamethyl-11-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,8.012,28.018,27.020,25]octacosa-2,4(8),9,12,14,16(28),18,20(25),26-nonaene
CID 167391338
16-dibenzofuran-4-yl-5,5,12,12,19,28,28,35,35-nonamethyl-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-38-thia-16,22-diaza-1-boradecacyclo[19.18.1.02,15.04,13.06,11.017,40.023,39.024,37.027,36.029,34]tetraconta-2,4(13),6,8,10,14,17,19,21(40),23(39),24(37),25,27(36),29,31,33-hexadecaene
CID 168806222
18-(4-tert-butyl-2-methylphenyl)-12-dibenzofuran-4-yl-5,5,8,8,15-pentamethyl-21-phenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13(25),14,16,19(24),20,22-nonaene
CID 167392500
N,N-bis(4-tert-butylphenyl)-22-dibenzofuran-1-yl-5,5,12,12,19-pentamethyl-16-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17,19,21(29),23(28),24,26-dodecaen-26-amine
CID 167393160
4-tert-butyl-8-dibenzofuran-1-yl-11,18,18,20,20-pentamethyl-14-(3,9,9,10,10-pentamethylanthracen-2-yl)-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2(7),3,5,9(24),10,12,15,17(21),22-nonaene
CID 167390883
7-tert-butyl-18,25,25,32,32-pentamethyl-15-(2-methylphenyl)-21-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-11-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.05,10.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),5(10),6,8,13,16(36),17,19,22,24(33),26,28,30,34-pentadecaene
CID 163532418
N,N,22-tris(4-tert-butylphenyl)-16-dibenzofuran-4-yl-5,5,12,12,19-pentamethyl-16,22-diaza-1-boraheptacyclo[15.11.1.02,15.04,13.06,11.021,29.023,28]nonacosa-2,4(13),6,8,10,14,17,19,21(29),23(28),24,26-dodecaen-25-amine
CID 167394994
18,25,25,32,32-pentamethyl-21-(9,9,10,10-tetramethylanthracen-2-yl)-15-(5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-2-yl)-5-oxa-15,21-diaza-1-boranonacyclo[18.15.1.02,14.04,12.06,11.016,36.022,35.024,33.026,31]hexatriaconta-2,4(12),6,8,10,13,16,18,20(36),22,24(33),26,28,30,34-pentadecaene
CID 163446769
18-dibenzofuran-1-yl-5,5,8,8,15-pentamethyl-12-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)-N,N-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.04,9.017,25.019,24]pentacosa-2,4(9),10,13,15,17(25),19(24),20,22-nonaen-22-amine
CID 163588039

Frequently Asked Questions

What is the IUPAC name of 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene?
The IUPAC name of 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene (CID 167392727) is 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene.
What is the SMILES notation for 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene?
The canonical SMILES for 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene is Cc1cc2c3c(c1)N(c1cccc4c1oc1ccccc14)c1cc4c(cc1B3c1cc3c(cc1N2c1cc2c(cc1C)C(C)(C)CCC2(C)C)C(C)(C)c1ccccc1C3(C)C)C(C)(C)c1ccccc1C4(C)C.
What is the InChIKey of 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene?
The InChIKey is SGGOJNGFHUJXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H69BN2O/c1-40-32-60-63-61(33-40)73(57-37-49-48(34-41(57)2)65(3,4)30-31-66(49,5)6)59-39-53-51(68(9,10)45-25-17-19-27-47(45)70(53,13)14)36-55(59)71(63)54-35-50-52(69(11,12)46-26-18-16-24-44(46)67(50,7)8)38-58(54)72(60)56-28-21-23-43-42-22-15-20-29-62(42)74-64(43)56/h15-29,32-39H,30-31H2,1-14H3.
What are the key properties of 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene?
16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene has a molecular weight of 965.15 g/mol, XLogP of 16.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-dibenzofuran-4-yl-5,5,12,12,19,26,26,33,33-nonamethyl-22-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4(13),6,8,10,14,17(37),18,20,23,25(34),27,29,31,35-pentadecaene is sourced from PubChem (CID 167392727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).