10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene

C122H78N10 — CID 159289819

IUPAC10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(nc5cc43)c3ccccc3n6-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)c2)cc1
InChIInChI=1S/C44H28N4.2C39H25N3/c1-3-12-29(13-4-1)31-22-24-33(25-23-31)47-39-20-9-7-18-35(39)43-41(47)27-37-38(45-43)28-42-44(46-37)36-19-8-10-21-40(36)48(42)34-17-11-16-32(26-34)30-14-5-2-6-15-30;1-3-12-26(13-4-1)27-14-11-17-30(22-27)42-36-21-10-8-19-32(36)39-38(42)24-28-23-33-31-18-7-9-20-35(31)41(29-15-5-2-6-16-29)37(33)25-34(28)40-39;1-3-11-26(12-4-1)27-19-21-30(22-20-27)42-36-18-10-8-16-32(36)39-38(42)24-28-23-33-31-15-7-9-17-35(31)41(29-13-5-2-6-14-29)37(33)25-34(28)40-39/h1-28H;2*1-25H
InChIKeyKZYWVVGSLNJKOK-UHFFFAOYSA-N
MW1684.04 g/mol
LogP31.35
Rot. Bonds10

About 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene

10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene (PubChem CID 159289819) has the molecular formula C122H78N10 and a molecular weight of 1684.04 g/mol. Its IUPAC name is 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene.

Molecular Properties

Compound Name10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
PubChem CID159289819
Molecular FormulaC122H78N10
Molecular Weight1684.04 g/mol
Exact Mass1682.64
IUPAC Name10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(nc5cc43)c3ccccc3n6-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)c2)cc1
InChIInChI=1S/C44H28N4.2C39H25N3/c1-3-12-29(13-4-1)31-22-24-33(25-23-31)47-39-20-9-7-18-35(39)43-41(47)27-37-38(45-43)28-42-44(46-37)36-19-8-10-21-40(36)48(42)34-17-11-16-32(26-34)30-14-5-2-6-15-30;1-3-12-26(13-4-1)27-14-11-17-30(22-27)42-36-21-10-8-19-32(36)39-38(42)24-28-23-33-31-18-7-9-20-35(31)41(29-15-5-2-6-16-29)37(33)25-34(28)40-39;1-3-11-26(12-4-1)27-19-21-30(22-20-27)42-36-18-10-8-16-32(36)39-38(42)24-28-23-33-31-15-7-9-17-35(31)41(29-13-5-2-6-14-29)37(33)25-34(28)40-39/h1-28H;2*1-25H
InChIKeyKZYWVVGSLNJKOK-UHFFFAOYSA-N
XLogP31.35
TPSA81.14 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms132
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001684.04
LogP ≤ 531.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene with MolForge

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Related Compounds

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12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
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3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
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9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
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3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
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CID 158411261

Frequently Asked Questions

What is the IUPAC name of 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene?
The IUPAC name of 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene (CID 159289819) is 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene.
What is the SMILES notation for 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene?
The canonical SMILES for 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene is c1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4nc5cc6c(nc5cc43)c3ccccc3n6-c3cccc(-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-n3c4ccccc4c4nc5cc6c(cc5cc43)c3ccccc3n6-c3ccccc3)c2)cc1.
What is the InChIKey of 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene?
The InChIKey is KZYWVVGSLNJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.2C39H25N3/c1-3-12-29(13-4-1)31-22-24-33(25-23-31)47-39-20-9-7-18-35(39)43-41(47)27-37-38(45-43)28-42-44(46-37)36-19-8-10-21-40(36)48(42)34-17-11-16-32(26-34)30-14-5-2-6-15-30;1-3-12-26(13-4-1)27-14-11-17-30(22-27)42-36-21-10-8-19-32(36)39-38(42)24-28-23-33-31-18-7-9-20-35(31)41(29-15-5-2-6-16-29)37(33)25-34(28)40-39;1-3-11-26(12-4-1)27-19-21-30(22-20-27)42-36-18-10-8-16-32(36)39-38(42)24-28-23-33-31-15-7-9-17-35(31)41(29-13-5-2-6-14-29)37(33)25-34(28)40-39/h1-28H;2*1-25H.
What are the key properties of 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene?
10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene has a molecular weight of 1684.04 g/mol, XLogP of 31.35, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-phenylphenyl)-22-(4-phenylphenyl)-2,10,14,22-tetrazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(3-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene;22-phenyl-10-(4-phenylphenyl)-2,10,22-triazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,11,13,15(23),16,18,20-undecaene is sourced from PubChem (CID 159289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).