10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene

C44H30N2 — CID 162418494

IUPAC10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene
SMILESCC(C)(C)c1cc2nc3ccc4ccc5c6cc(C(C)(C)C)cc7nc8ccc9ccc%10c(c1)c2c1c3c4c5c2c(c76)c8c9c%10c12
InChIInChI=1S/C44H30N2/c1-43(2,3)21-15-25-23-11-7-19-10-14-28-38-31(19)35(23)41-39-33(25)29(17-21)45-27-13-9-20-8-12-24-26-16-22(44(4,5)6)18-30(46-28)34(26)40(38)42(41)36(24)32(20)37(27)39/h7-18H,1-6H3
InChIKeySRCKLQQWYWEUOV-UHFFFAOYSA-N
MW586.74 g/mol
LogP12.38
Rot. Bonds

About 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene

10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene (PubChem CID 162418494) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene.

Molecular Properties

Compound Name10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene
PubChem CID162418494
Molecular FormulaC44H30N2
Molecular Weight586.74 g/mol
Exact Mass586.24
IUPAC Name10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene
SMILESCC(C)(C)c1cc2nc3ccc4ccc5c6cc(C(C)(C)C)cc7nc8ccc9ccc%10c(c1)c2c1c3c4c5c2c(c76)c8c9c%10c12
InChIInChI=1S/C44H30N2/c1-43(2,3)21-15-25-23-11-7-19-10-14-28-38-31(19)35(23)41-39-33(25)29(17-21)45-27-13-9-20-8-12-24-26-16-22(44(4,5)6)18-30(46-28)34(26)40(38)42(41)36(24)32(20)37(27)39/h7-18H,1-6H3
InChIKeySRCKLQQWYWEUOV-UHFFFAOYSA-N
XLogP12.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.74
LogP ≤ 512.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene with MolForge

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Related Compounds

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CID 59610780
17,21,48,52-tetratert-butyl-9,44-bis(4-tert-butylphenyl)docosacyclo[59.5.2.214,45.227,33.04,65.07,64.08,57.010,15.011,56.012,49.013,46.019,24.026,43.028,32.029,42.030,39.031,36.050,55.058,63.062,66.018,70.025,69]doheptaconta-1(66),2,4(65),5,7(64),8,10,12,14(70),15,17,19(24),20,22,25,27,29(42),30(39),31(36),32,34,37,40,43,45(69),46,48,50(55),51,53,56,58(63),59,61,67,71-hexatriacontaene
CID 162415357
1-tert-butylcoronene
CID 23533016
6,11,20,25,34-pentatert-butyl-39-[(11,20,25,34,39-pentatert-butyl-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9,11,13,15,17(22),18,20,23,25,27(32),28,30,33,35,37(42),38,40-henicosaenyl)oxy]tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(30),2(15),3(8),4,6,9,11,13,16,18,20,22,24,26,28,31,33,35,37(42),38,40-henicosaene
CID 134960321
5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
CID 44518442
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CID 10506109
14,29,44-tritert-butyltridecacyclo[32.11.1.14,12.119,27.02,33.03,17.06,11.018,32.021,26.036,41.042,46.016,48.031,47]octatetraconta-1(45),2,4,6,8,10,12(48),13,15,17,19,21,23,25,27(47),28,30,32,34,36,38,40,42(46),43-tetracosaene
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undecacyclo[15.15.0.02,14.03,31.04,12.05,29.06,11.07,27.020,32.022,30.023,28]dotriaconta-1(17),2,4(12),5,7(27),8,10,13,15,18,20,22(30),23,25,28,31-hexadecaene
CID 11112057
2,3-diazaheptacyclo[14.6.2.04,21.07,20.010,19.013,18.017,22]tetracosa-1(22),2,4(21),5,7(20),8,10(19),11,13(18),14,16,23-dodecaene
CID 15569109
trimethyl-[2-(11,20,25,34,39-pentatert-butyl-6-tridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2,4(41),5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39-henicosaenyl)ethynyl]silane
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7-tert-butyl-1-[(7-tert-butylpyren-1-yl)methyl]pyrene
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Frequently Asked Questions

What is the IUPAC name of 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene?
The IUPAC name of 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene (CID 162418494) is 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene.
What is the SMILES notation for 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene?
The canonical SMILES for 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene is CC(C)(C)c1cc2nc3ccc4ccc5c6cc(C(C)(C)C)cc7nc8ccc9ccc%10c(c1)c2c1c3c4c5c2c(c76)c8c9c%10c12.
What is the InChIKey of 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene?
The InChIKey is SRCKLQQWYWEUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-43(2,3)21-15-25-23-11-7-19-10-14-28-38-31(19)35(23)41-39-33(25)29(17-21)45-27-13-9-20-8-12-24-26-16-22(44(4,5)6)18-30(46-28)34(26)40(38)42(41)36(24)32(20)37(27)39/h7-18H,1-6H3.
What are the key properties of 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene?
10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene has a molecular weight of 586.74 g/mol, XLogP of 12.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,23-ditert-butyl-20,38-diazadodecacyclo[19.15.1.18,32.02,19.03,16.04,13.05,36.06,33.07,12.025,37.026,35.029,34]octatriaconta-1,3(16),4(13),5(36),6(33),7(12),8,10,14,17,19,21,23,25(37),26(35),27,29(34),30,32(38)-nonadecaene is sourced from PubChem (CID 162418494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).