3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

C42H26N6 — CID 118564650

IUPAC3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1cncc(-c2ccc(/C3=N/c4cc5ccccc5cc4/C(c4ccc(-c5cccnc5)nc4)=N\c4cc5ccccc5cc43)cn2)c1
InChIInChI=1S/C42H26N6/c1-3-9-29-21-39-35(19-27(29)7-1)41(33-13-15-37(45-25-33)31-11-5-17-43-23-31)48-40-22-30-10-4-2-8-28(30)20-36(40)42(47-39)34-14-16-38(46-26-34)32-12-6-18-44-24-32/h1-26H/b41-35-,42-36-,47-39-,47-42-,48-40-,48-41-
InChIKeyRTEZXUUGKSKJOT-SQWQLLNDSA-N
MW614.71 g/mol
LogP9.56
Rot. Bonds4

About 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene

3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (PubChem CID 118564650) has the molecular formula C42H26N6 and a molecular weight of 614.71 g/mol. Its IUPAC name is 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
PubChem CID118564650
Molecular FormulaC42H26N6
Molecular Weight614.71 g/mol
Exact Mass614.22
IUPAC Name3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene
SMILESc1cncc(-c2ccc(/C3=N/c4cc5ccccc5cc4/C(c4ccc(-c5cccnc5)nc4)=N\c4cc5ccccc5cc43)cn2)c1
InChIInChI=1S/C42H26N6/c1-3-9-29-21-39-35(19-27(29)7-1)41(33-13-15-37(45-25-33)31-11-5-17-43-23-31)48-40-22-30-10-4-2-8-28(30)20-36(40)42(47-39)34-14-16-38(46-26-34)32-12-6-18-44-24-32/h1-26H/b41-35-,42-36-,47-39-,47-42-,48-40-,48-41-
InChIKeyRTEZXUUGKSKJOT-SQWQLLNDSA-N
XLogP9.56
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The IUPAC name of 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene (CID 118564650) is 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene.
What is the SMILES notation for 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The canonical SMILES for 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is c1cncc(-c2ccc(/C3=N/c4cc5ccccc5cc4/C(c4ccc(-c5cccnc5)nc4)=N\c4cc5ccccc5cc43)cn2)c1.
What is the InChIKey of 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
The InChIKey is RTEZXUUGKSKJOT-SQWQLLNDSA-N. The full InChI is InChI=1S/C42H26N6/c1-3-9-29-21-39-35(19-27(29)7-1)41(33-13-15-37(45-25-33)31-11-5-17-43-23-31)48-40-22-30-10-4-2-8-28(30)20-36(40)42(47-39)34-14-16-38(46-26-34)32-12-6-18-44-24-32/h1-26H/b41-35-,42-36-,47-39-,47-42-,48-40-,48-41-.
What are the key properties of 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene?
3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene has a molecular weight of 614.71 g/mol, XLogP of 9.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-bis(6-pyridin-3-yl-3-pyridinyl)-2,14-diazapentacyclo[14.8.0.04,13.06,11.018,23]tetracosa-1(24),2,4,6,8,10,12,14,16,18,20,22-dodecaene is sourced from PubChem (CID 118564650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).