5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene

C58H40N4 — CID 132502296

IUPAC5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene
SMILESC1=C/C2=C(\c3ccccc3)c3ccc4n3C(c3ccccc3)C(c3ccccc3)n3c(cc/c3=C(\c3ccccc3)C3=N/C(=C(/c5ccccc5)C1=N2)C=C3)=C4c1ccccc1
InChIInChI=1S/C58H40N4/c1-7-19-39(20-8-1)53-45-31-33-47(59-45)54(40-21-9-2-10-22-40)49-35-37-51-56(42-25-13-4-14-26-42)52-38-36-50(55(41-23-11-3-12-24-41)48-34-32-46(53)60-48)62(52)58(44-29-17-6-18-30-44)57(61(49)51)43-27-15-5-16-28-43/h1-38,57-58H/b53-45-,53-46+,54-47-,54-49-,55-48+,55-50-
InChIKeyNHSBDPBNBWCCOQ-OCVFUWNUSA-N
MW792.99 g/mol
LogP11.13
Rot. Bonds6

About 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene

5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene (PubChem CID 132502296) has the molecular formula C58H40N4 and a molecular weight of 792.99 g/mol. Its IUPAC name is 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene.

Molecular Properties

Compound Name5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene
PubChem CID132502296
Molecular FormulaC58H40N4
Molecular Weight792.99 g/mol
Exact Mass792.33
IUPAC Name5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene
SMILESC1=C/C2=C(\c3ccccc3)c3ccc4n3C(c3ccccc3)C(c3ccccc3)n3c(cc/c3=C(\c3ccccc3)C3=N/C(=C(/c5ccccc5)C1=N2)C=C3)=C4c1ccccc1
InChIInChI=1S/C58H40N4/c1-7-19-39(20-8-1)53-45-31-33-47(59-45)54(40-21-9-2-10-22-40)49-35-37-51-56(42-25-13-4-14-26-42)52-38-36-50(55(41-23-11-3-12-24-41)48-34-32-46(53)60-48)62(52)58(44-29-17-6-18-30-44)57(61(49)51)43-27-15-5-16-28-43/h1-38,57-58H/b53-45-,53-46+,54-47-,54-49-,55-48+,55-50-
InChIKeyNHSBDPBNBWCCOQ-OCVFUWNUSA-N
XLogP11.13
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.99
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene with MolForge

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Related Compounds

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CID 16690520
5,10,16,18-tetraphenyl-15,17,19-triaza-16-borapentacyclo[12.3.1.16,9.04,17.011,15]nonadeca-1(18),2,4,6(19),7,9,11,13-octaene
CID 102229139
22-chloro-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-gallahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaene
CID 16690519
16-(4-bromophenyl)-5,10,18-triphenyl-15,17,19-triaza-16-borapentacyclo[12.3.1.16,9.04,17.011,15]nonadeca-1(18),2,4,6(19),7,9,11,13-octaene
CID 132581748
16-methoxy-5,10,18-tris[4-(4-phenylphenyl)phenyl]-15,17,19-triaza-16-borapentacyclo[12.3.1.16,9.04,17.011,15]nonadeca-1(18),2,4,6(19),7,9,11,13-octaene
CID 50993335
trimethyl-[(11,16,23-triphenyl-1-trimethylsilyloxy-2,21,22,24-tetraza-1λ5-phosphaheptacyclo[10.9.1.13,20.17,10.02,6.015,22.017,21]tetracosa-3(23),4,6,8,10(24),11,13,15,17,19-decaen-1-yl)oxy]silane
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Frequently Asked Questions

What is the IUPAC name of 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene?
The IUPAC name of 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene (CID 132502296) is 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene.
What is the SMILES notation for 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene?
The canonical SMILES for 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene is C1=C/C2=C(\c3ccccc3)c3ccc4n3C(c3ccccc3)C(c3ccccc3)n3c(cc/c3=C(\c3ccccc3)C3=N/C(=C(/c5ccccc5)C1=N2)C=C3)=C4c1ccccc1.
What is the InChIKey of 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene?
The InChIKey is NHSBDPBNBWCCOQ-OCVFUWNUSA-N. The full InChI is InChI=1S/C58H40N4/c1-7-19-39(20-8-1)53-45-31-33-47(59-45)54(40-21-9-2-10-22-40)49-35-37-51-56(42-25-13-4-14-26-42)52-38-36-50(55(41-23-11-3-12-24-41)48-34-32-46(53)60-48)62(52)58(44-29-17-6-18-30-44)57(61(49)51)43-27-15-5-16-28-43/h1-38,57-58H/b53-45-,53-46+,54-47-,54-49-,55-48+,55-50-.
What are the key properties of 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene?
5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene has a molecular weight of 792.99 g/mol, XLogP of 11.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,21,22,24-hexakis-phenyl-20,23,25,26-tetrazahexacyclo[17.4.1.16,9.111,14.04,23.016,20]hexacosa-1(24),2,4,6(26),7,9,11(25),12,14,16,18-undecaene is sourced from PubChem (CID 132502296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).