3,15-bis(6-phenyl-2-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

C44H28N4 — CID 118564628

IUPAC3,15-bis(6-phenyl-2-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
SMILESc1ccc(-c2cccc(/C3=N/c4cc5ccccc5cc4/C(c4cccc(-c5ccccc5)n4)=N\c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)37-21-11-23-39(45-37)43-35-25-31-17-7-9-19-33(31)27-41(35)48-44(36-26-32-18-8-10-20-34(32)28-42(36)47-43)40-24-12-22-38(46-40)30-15-5-2-6-16-30/h1-28H/b43-35-,44-36-,47-42-,47-43+,48-41-,48-44+
InChIKeyKXYCVYFAINMHHQ-ZAAHIXCESA-N
MW612.74 g/mol
LogP10.77
Rot. Bonds4

About 3,15-bis(6-phenyl-2-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-phenyl-2-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 118564628) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 3,15-bis(6-phenyl-2-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-phenyl-2-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 CID118564628
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name3,15-bis(6-phenyl-2-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
SMILESc1ccc(-c2cccc(/C3=N/c4cc5ccccc5cc4/C(c4cccc(-c5ccccc5)n4)=N\c4cc5ccccc5cc43)n2)cc1
InChIInChI=1S/C44H28N4/c1-3-13-29(14-4-1)37-21-11-23-39(45-37)43-35-25-31-17-7-9-19-33(31)27-41(35)48-44(36-26-32-18-8-10-20-34(32)28-42(36)47-43)40-24-12-22-38(46-40)30-15-5-2-6-16-30/h1-28H/b43-35-,44-36-,47-42-,47-43+,48-41-,48-44+
InChIKeyKXYCVYFAINMHHQ-ZAAHIXCESA-N
XLogP10.77
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,15-bis(6-phenyl-2-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

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Related Compounds

3,15-di(isoquinolin-3-yl)-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 118564641
2-phenyl-5-[4-[15-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-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-dodecaen-3-yl]phenyl]-1,3,4-oxadiazole
CID 118564652
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
3-(6-phenyl-2-pyridinyl)-6-[6-(6-phenyl-2-pyridinyl)pyridazin-3-yl]pyridazine
CID 67041293
2-[4-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402387
2-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402228
4,7-bis(6-phenyl-2-pyridinyl)-1,10-phenanthroline
CID 121420323
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 140902398
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153

Frequently Asked Questions

What is the IUPAC name of 3,15-bis(6-phenyl-2-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-phenyl-2-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 118564628) is 3,15-bis(6-phenyl-2-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-phenyl-2-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-phenyl-2-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 c1ccc(-c2cccc(/C3=N/c4cc5ccccc5cc4/C(c4cccc(-c5ccccc5)n4)=N\c4cc5ccccc5cc43)n2)cc1.
What is the InChIKey of 3,15-bis(6-phenyl-2-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 KXYCVYFAINMHHQ-ZAAHIXCESA-N. The full InChI is InChI=1S/C44H28N4/c1-3-13-29(14-4-1)37-21-11-23-39(45-37)43-35-25-31-17-7-9-19-33(31)27-41(35)48-44(36-26-32-18-8-10-20-34(32)28-42(36)47-43)40-24-12-22-38(46-40)30-15-5-2-6-16-30/h1-28H/b43-35-,44-36-,47-42-,47-43+,48-41-,48-44+.
What are the key properties of 3,15-bis(6-phenyl-2-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-phenyl-2-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 612.74 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,15-bis(6-phenyl-2-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 118564628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).