26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene

C37H22N4 — CID 166802547

IUPAC26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n5c7ccccc7nc5c4c32)[nH]c2ccccc26)cc1
InChIInChI=1S/C37H22N4/c1-2-10-22(11-3-1)40-30-16-8-5-12-23(30)24-18-19-26-34-32(21-20-29-33(34)25-13-4-6-14-27(25)38-29)41-31-17-9-7-15-28(31)39-37(41)35(26)36(24)40/h1-21,38H
InChIKeyOSSWMEOOBOHIGM-UHFFFAOYSA-N
MW522.61 g/mol
LogP9.53
Rot. Bonds1

About 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene

26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene (PubChem CID 166802547) has the molecular formula C37H22N4 and a molecular weight of 522.61 g/mol. Its IUPAC name is 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene.

Molecular Properties

Compound Name26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene
PubChem CID166802547
Molecular FormulaC37H22N4
Molecular Weight522.61 g/mol
Exact Mass522.18
IUPAC Name26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene
SMILESc1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n5c7ccccc7nc5c4c32)[nH]c2ccccc26)cc1
InChIInChI=1S/C37H22N4/c1-2-10-22(11-3-1)40-30-16-8-5-12-23(30)24-18-19-26-34-32(21-20-29-33(34)25-13-4-6-14-27(25)38-29)41-31-17-9-7-15-28(31)39-37(41)35(26)36(24)40/h1-21,38H
InChIKeyOSSWMEOOBOHIGM-UHFFFAOYSA-N
XLogP9.53
TPSA38.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.61
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene with MolForge

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Related Compounds

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
26-phenyl-4-thia-15,22,26-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),27,29,31,34-hexadecaene
CID 140956761
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
3,10,25-triazaheptacyclo[15.11.0.02,10.04,9.011,16.018,26.019,24]octacosa-1(17),2,4,6,8,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432144
9-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118509099
19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432796
19-(3-phenylphenyl)-2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432789
19-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaene
CID 90432524
10-ethyl-1,3,25-triazaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.019,24]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),19,21,23,27-tetradecaene
CID 152897840
triphenyl-[3-(2,9,19-triazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),3,5,7,9,11,13,15,18(26),20,22,24,27-tridecaen-19-yl)phenyl]silane
CID 90432537
4-phenyl-27-thia-4,15,22-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
CID 140956527
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

Frequently Asked Questions

What is the IUPAC name of 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene?
The IUPAC name of 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene (CID 166802547) is 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene.
What is the SMILES notation for 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene?
The canonical SMILES for 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene is c1ccc(-n2c3ccccc3c3ccc4c5c6c(ccc5n5c7ccccc7nc5c4c32)[nH]c2ccccc26)cc1.
What is the InChIKey of 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene?
The InChIKey is OSSWMEOOBOHIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N4/c1-2-10-22(11-3-1)40-30-16-8-5-12-23(30)24-18-19-26-34-32(21-20-29-33(34)25-13-4-6-14-27(25)38-29)41-31-17-9-7-15-28(31)39-37(41)35(26)36(24)40/h1-21,38H.
What are the key properties of 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene?
26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene has a molecular weight of 522.61 g/mol, XLogP of 9.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 26-phenyl-10,15,22,26-tetrazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),27,29,31,34-hexadecaene is sourced from PubChem (CID 166802547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).