3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene

C44H28N4 — CID 162483755

IUPAC3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2ccc3c4cc5c6ccccc6n6c(-c7ccccc7)nc(-c7ccccc7)c6c5cc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C44H28N4/c1-4-14-29(15-5-1)32-23-24-34-36-27-35-33-20-10-11-21-38(33)48-43(37(35)28-40(36)47(39(34)26-32)41-22-12-13-25-45-41)42(30-16-6-2-7-17-30)46-44(48)31-18-8-3-9-19-31/h1-28H
InChIKeyDBQZBBOVEWTUBQ-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.13
Rot. Bonds4

About 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene

3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene (PubChem CID 162483755) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene.

Molecular Properties

Compound Name3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene
PubChem CID162483755
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene
SMILESc1ccc(-c2ccc3c4cc5c6ccccc6n6c(-c7ccccc7)nc(-c7ccccc7)c6c5cc4n(-c4ccccn4)c3c2)cc1
InChIInChI=1S/C44H28N4/c1-4-14-29(15-5-1)32-23-24-34-36-27-35-33-20-10-11-21-38(33)48-43(37(35)28-40(36)47(39(34)26-32)41-22-12-13-25-45-41)42(30-16-6-2-7-17-30)46-44(48)31-18-8-3-9-19-31/h1-28H
InChIKeyDBQZBBOVEWTUBQ-UHFFFAOYSA-N
XLogP11.13
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene with MolForge

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Related Compounds

3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
6,15,17-triphenyl-9-(3-phenylquinoxalin-2-yl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3(8),4,6,11,14,16,19,21,23-undecaene
CID 162483647
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 134442866
3-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]-9-pyridin-2-ylcarbazole
CID 135194976
16-[4-(4-phenylphenyl)quinazolin-2-yl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163802710
9,15-diphenyl-17-(4-phenylphenyl)-9,16,18-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,14,16,19,21,23-undecaene
CID 162483753
5-(6-phenyl-4-pyridin-2-yl-2-pyridinyl)-7-pyridin-2-ylindolo[2,3-b]carbazole
CID 156769318
16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12-pyridin-2-yl-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139322662
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
2-methyl-7-phenyl-3-[2-(1-phenylethenyl)phenyl]-9-pyridin-2-ylcarbazole
CID 139422342
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990

Frequently Asked Questions

What is the IUPAC name of 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene?
The IUPAC name of 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene (CID 162483755) is 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene.
What is the SMILES notation for 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene?
The canonical SMILES for 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene is c1ccc(-c2ccc3c4cc5c6ccccc6n6c(-c7ccccc7)nc(-c7ccccc7)c6c5cc4n(-c4ccccn4)c3c2)cc1.
What is the InChIKey of 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene?
The InChIKey is DBQZBBOVEWTUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-14-29(15-5-1)32-23-24-34-36-27-35-33-20-10-11-21-38(33)48-43(37(35)28-40(36)47(39(34)26-32)41-22-12-13-25-45-41)42(30-16-6-2-7-17-30)46-44(48)31-18-8-3-9-19-31/h1-28H.
What are the key properties of 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene?
3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene has a molecular weight of 612.74 g/mol, XLogP of 11.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,19-triphenyl-22-pyridin-2-yl-4,6,22-triazahexacyclo[11.11.0.02,6.07,12.015,23.016,21]tetracosa-1(24),2,4,7,9,11,13,15(23),16(21),17,19-undecaene is sourced from PubChem (CID 162483755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).