19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

C43H26N4 — CID 159653309

IUPAC19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6c(c7ccccc7n6-c6ccccc6)c5c5nc6ccccc6n5c4cc32)cc1
InChIInChI=1S/C43H26N4/c1-3-13-27(14-4-1)45-36-21-11-8-18-31(36)41-38(45)24-23-30-33-25-32-29-17-7-10-20-35(29)46(28-15-5-2-6-16-28)39(32)26-40(33)47-37-22-12-9-19-34(37)44-43(47)42(30)41/h1-26H
InChIKeyPIEFPAAKFDWTHQ-UHFFFAOYSA-N
MW598.71 g/mol
LogP10.99
Rot. Bonds2

About 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene

19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (PubChem CID 159653309) has the molecular formula C43H26N4 and a molecular weight of 598.71 g/mol. Its IUPAC name is 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.

Molecular Properties

Compound Name19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
PubChem CID159653309
Molecular FormulaC43H26N4
Molecular Weight598.71 g/mol
Exact Mass598.22
IUPAC Name19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccc6c(c7ccccc7n6-c6ccccc6)c5c5nc6ccccc6n5c4cc32)cc1
InChIInChI=1S/C43H26N4/c1-3-13-27(14-4-1)45-36-21-11-8-18-31(36)41-38(45)24-23-30-33-25-32-29-17-7-10-20-35(29)46(28-15-5-2-6-16-28)39(32)26-40(33)47-37-22-12-9-19-34(37)44-43(47)42(30)41/h1-26H
InChIKeyPIEFPAAKFDWTHQ-UHFFFAOYSA-N
XLogP10.99
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.71
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene with MolForge

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Related Compounds

10,33-diphenyl-10,15,22,33-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
CID 159338083
19,34-diphenyl-2,9,19,34-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.027,35.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27(35),28,30,32-hexadecaene
CID 159807385
4,32-diphenyl-4,15,22,32-tetrazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene
CID 159338082
7,17-diphenyl-7,17,22,29-tetrazanonacyclo[18.15.0.03,18.04,16.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1,3(18),4(16),5,8,10,12,14,19,21,23,25,27,30,32,34-hexadecaene
CID 140956548
21-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,10,21-triazaheptacyclo[15.11.0.02,10.04,9.011,16.020,28.022,27]octacosa-1(17),2,4,6,8,11,13,15,18,20(28),22,24,26-tridecaene
CID 90432698
4-(9-phenylcarbazol-3-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 149202227
10-phenyl-27-thia-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,28,30,32,34-hexadecaene;10-phenyl-33-thia-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27,29,31,34-hexadecaene;14-phenyl-27-thia-2,9,14-triazanonacyclo[22.11.0.02,10.03,8.011,23.013,21.015,20.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12,15,17,19,21,25,28,30,32,34-hexadecaene
CID 159420328
27-phenyl-13-thia-2,9,27-triazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.014,19.026,34.028,33]pentatriaconta-1(24),3,5,7,9,11(23),12(20),14,16,18,21,25,28,30,32,34-hexadecaene
CID 140956735
26-phenyl-2,9,14,26-tetrazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163472926
32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
CID 162012477
10-phenyl-33-thia-10,15,22-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
CID 140956749
10-phenyl-34-thia-10,16,23-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.017,22.027,35.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,15,17,19,21,25,27(35),28,30,32-hexadecaene;27-phenyl-4-thia-15,22,27-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,28,30,32,34-hexadecaene;27-phenyl-10-thia-15,22,27-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.028,33]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,28,30,32,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene
CID 159293131

Frequently Asked Questions

What is the IUPAC name of 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The IUPAC name of 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene (CID 159653309) is 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene.
What is the SMILES notation for 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The canonical SMILES for 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is c1ccc(-n2c3ccccc3c3cc4c5ccc6c(c7ccccc7n6-c6ccccc6)c5c5nc6ccccc6n5c4cc32)cc1.
What is the InChIKey of 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
The InChIKey is PIEFPAAKFDWTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4/c1-3-13-27(14-4-1)45-36-21-11-8-18-31(36)41-38(45)24-23-30-33-25-32-29-17-7-10-20-35(29)46(28-15-5-2-6-16-28)39(32)26-40(33)47-37-22-12-9-19-34(37)44-43(47)42(30)41/h1-26H.
What are the key properties of 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene?
19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene has a molecular weight of 598.71 g/mol, XLogP of 10.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 19,33-diphenyl-2,9,19,33-tetrazanonacyclo[22.11.0.02,10.03,8.011,23.012,20.013,18.026,34.027,32]pentatriaconta-1(24),3,5,7,9,11(23),12(20),13,15,17,21,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 159653309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).