9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene

C62H38N10 — CID 58731952

IUPAC9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccc3)c3c2-c2nccnc2-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-c2nccnc2-3)cc1
InChIInChI=1S/C62H38N10/c1-3-19-39(20-4-1)47-49(41-23-7-13-29-63-41)50(42-24-8-14-30-64-42)48(40-21-5-2-6-22-40)56-55(47)59-61(71-37-35-69-59)57-53(45-27-11-17-33-67-45)51(43-25-9-15-31-65-43)52(44-26-10-16-32-66-44)54(46-28-12-18-34-68-46)58(57)62-60(56)70-36-38-72-62/h1-38H/b59-55+,60-56+,61-57+,62-58+
InChIKeyWHPKBVNCCMZXFX-OZZRRSLISA-N
MW923.06 g/mol
LogP13.95
Rot. Bonds8

About 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene

9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene (PubChem CID 58731952) has the molecular formula C62H38N10 and a molecular weight of 923.06 g/mol. Its IUPAC name is 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene.

Molecular Properties

Compound Name9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene
PubChem CID58731952
Molecular FormulaC62H38N10
Molecular Weight923.06 g/mol
Exact Mass922.33
IUPAC Name9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene
SMILESc1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccc3)c3c2-c2nccnc2-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-c2nccnc2-3)cc1
InChIInChI=1S/C62H38N10/c1-3-19-39(20-4-1)47-49(41-23-7-13-29-63-41)50(42-24-8-14-30-64-42)48(40-21-5-2-6-22-40)56-55(47)59-61(71-37-35-69-59)57-53(45-27-11-17-33-67-45)51(43-25-9-15-31-65-43)52(44-26-10-16-32-66-44)54(46-28-12-18-34-68-46)58(57)62-60(56)70-36-38-72-62/h1-38H/b59-55+,60-56+,61-57+,62-58+
InChIKeyWHPKBVNCCMZXFX-OZZRRSLISA-N
XLogP13.95
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.06
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene with MolForge

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Related Compounds

4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
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2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
21,22,23,24-tetrapyridin-2-yl-3,9,18-triazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2(7),3,5,8(13),9,11,14(19),15,17,20,22-dodecaene
CID 58731950
2-[3-[2-[2-phenyl-3,4,5,6-tetrakis(4-phenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 153429623
2-[3-[2,5-diphenyl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]pyridine
CID 139253750
hydrazine;2-phenylpyridine
CID 158673997
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
3,4-diphenyl-5-pyridin-2-yl-1H-pyridazine-6-thione
CID 71084407
2-[2,3-bis[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-6-[4-[2-[4-[3-[4-[2,5-dipyridin-2-yl-3,4-bis[4-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]phenyl]-4-[4-[2,5-dipyridin-2-yl-4-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-3-[4-(2,3,4,5-tetraphenyl-6-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,5-dipyridin-2-ylphenyl]phenyl]-4-(4-methylphenyl)-3,6-dipyridin-2-ylphenyl]phenyl]-4-pyridin-2-ylphenyl]pyridine
CID 58114875
2-[3-[2-(3,5-dimethylphenyl)-3,4,5,6-tetraphenylphenyl]phenyl]pyridine
CID 153429686
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360

Frequently Asked Questions

What is the IUPAC name of 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene?
The IUPAC name of 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene (CID 58731952) is 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene.
What is the SMILES notation for 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene?
The canonical SMILES for 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene is c1ccc(-c2c(-c3ccccn3)c(-c3ccccn3)c(-c3ccccc3)c3c2-c2nccnc2-c2c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c(-c4ccccn4)c2-c2nccnc2-3)cc1.
What is the InChIKey of 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene?
The InChIKey is WHPKBVNCCMZXFX-OZZRRSLISA-N. The full InChI is InChI=1S/C62H38N10/c1-3-19-39(20-4-1)47-49(41-23-7-13-29-63-41)50(42-24-8-14-30-64-42)48(40-21-5-2-6-22-40)56-55(47)59-61(71-37-35-69-59)57-53(45-27-11-17-33-67-45)51(43-25-9-15-31-65-43)52(44-26-10-16-32-66-44)54(46-28-12-18-34-68-46)58(57)62-60(56)70-36-38-72-62/h1-38H/b59-55+,60-56+,61-57+,62-58+.
What are the key properties of 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene?
9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene has a molecular weight of 923.06 g/mol, XLogP of 13.95, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-diphenyl-10,11,21,22,23,24-hexapyridin-2-yl-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(24),2,4,6,8(13),9,11,14,16,18,20,22-dodecaene is sourced from PubChem (CID 58731952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).