10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

C64H42N8 — CID 87720016

IUPAC10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
SMILESC1=C(c2ccccc2)c2nc1cc1nnc(nc3nc(c(-c4ccccc4)c4c(-c5ccccc5)c(-c5ccccc5)c(c2-c2ccccc2)n4-c2ccccc2)C(c2ccccc2)=N3)n1-c1ccccc1
InChIInChI=1S/C64H42N8/c1-9-25-43(26-10-1)52-41-49-42-53-69-70-64(71(53)50-37-21-7-22-38-50)68-63-66-58(48-35-19-6-20-36-48)60(67-63)57(47-33-17-5-18-34-47)62-55(45-29-13-3-14-30-45)54(44-27-11-2-12-28-44)61(72(62)51-39-23-8-24-40-51)56(59(52)65-49)46-31-15-4-16-32-46/h1-42H/b49-42-,53-42-,59-56-,60-57-,61-56-,62-57-,68-63-,68-64-
InChIKeySOJGZAOMWNBFSE-HZECJLKCSA-N
MW923.10 g/mol
LogP14.85
Rot. Bonds8

About 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene

10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene (PubChem CID 87720016) has the molecular formula C64H42N8 and a molecular weight of 923.10 g/mol. Its IUPAC name is 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene.

Molecular Properties

Compound Name10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
PubChem CID87720016
Molecular FormulaC64H42N8
Molecular Weight923.10 g/mol
Exact Mass922.35
IUPAC Name10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
SMILESC1=C(c2ccccc2)c2nc1cc1nnc(nc3nc(c(-c4ccccc4)c4c(-c5ccccc5)c(-c5ccccc5)c(c2-c2ccccc2)n4-c2ccccc2)C(c2ccccc2)=N3)n1-c1ccccc1
InChIInChI=1S/C64H42N8/c1-9-25-43(26-10-1)52-41-49-42-53-69-70-64(71(53)50-37-21-7-22-38-50)68-63-66-58(48-35-19-6-20-36-48)60(67-63)57(47-33-17-5-18-34-47)62-55(45-29-13-3-14-30-45)54(44-27-11-2-12-28-44)61(72(62)51-39-23-8-24-40-51)56(59(52)65-49)46-31-15-4-16-32-46/h1-42H/b49-42-,53-42-,59-56-,60-57-,61-56-,62-57-,68-63-,68-64-
InChIKeySOJGZAOMWNBFSE-HZECJLKCSA-N
XLogP14.85
TPSA86.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.10
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene?
The IUPAC name of 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene (CID 87720016) is 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene.
What is the SMILES notation for 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene?
The canonical SMILES for 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene is C1=C(c2ccccc2)c2nc1cc1nnc(nc3nc(c(-c4ccccc4)c4c(-c5ccccc5)c(-c5ccccc5)c(c2-c2ccccc2)n4-c2ccccc2)C(c2ccccc2)=N3)n1-c1ccccc1.
What is the InChIKey of 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene?
The InChIKey is SOJGZAOMWNBFSE-HZECJLKCSA-N. The full InChI is InChI=1S/C64H42N8/c1-9-25-43(26-10-1)52-41-49-42-53-69-70-64(71(53)50-37-21-7-22-38-50)68-63-66-58(48-35-19-6-20-36-48)60(67-63)57(47-33-17-5-18-34-47)62-55(45-29-13-3-14-30-45)54(44-27-11-2-12-28-44)61(72(62)51-39-23-8-24-40-51)56(59(52)65-49)46-31-15-4-16-32-46/h1-42H/b49-42-,53-42-,59-56-,60-57-,61-56-,62-57-,68-63-,68-64-.
What are the key properties of 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene?
10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene has a molecular weight of 923.10 g/mol, XLogP of 14.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10,12,14,15,17,19,22,24-octakis-phenyl-2,4,5,20,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene is sourced from PubChem (CID 87720016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).