12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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

C51H41N5 — CID 167267861

IUPAC12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)c3cc4ccccc4cc3n5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C51H41N5/c1-50(2)25-26-51(3,4)42-29-36(23-24-41(42)50)55-43-22-14-13-21-37(43)39-30-46-40(31-45(39)55)38-27-34-19-11-12-20-35(34)28-44(38)56(46)49-53-47(32-15-7-5-8-16-32)52-48(54-49)33-17-9-6-10-18-33/h5-24,27-31H,25-26H2,1-4H3
InChIKeyKKBSKBJOVQWLSY-UHFFFAOYSA-N
MW723.92 g/mol
LogP12.90
Rot. Bonds4

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 (PubChem CID 167267861) has the molecular formula C51H41N5 and a molecular weight of 723.92 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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.

Molecular Properties

Compound Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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
PubChem CID167267861
Molecular FormulaC51H41N5
Molecular Weight723.92 g/mol
Exact Mass723.34
IUPAC Name12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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
SMILESCC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)c3cc4ccccc4cc3n5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C51H41N5/c1-50(2)25-26-51(3,4)42-29-36(23-24-41(42)50)55-43-22-14-13-21-37(43)39-30-46-40(31-45(39)55)38-27-34-19-11-12-20-35(34)28-44(38)56(46)49-53-47(32-15-7-5-8-16-32)52-48(54-49)33-17-9-6-10-18-33/h5-24,27-31H,25-26H2,1-4H3
InChIKeyKKBSKBJOVQWLSY-UHFFFAOYSA-N
XLogP12.90
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.92
LogP ≤ 512.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 with MolForge

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Related Compounds

22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087060
13-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-22,22,25,25-tetramethyl-18-phenyl-13,18-diazaheptacyclo[15.11.0.02,14.03,12.04,9.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19,21(26),27-undecaene
CID 177087237
5,5,8,8-tetramethyl-22-[4-naphthalen-2-yl-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177086954
8-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;9-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 158247686
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-b]carbazole
CID 167268433
5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole
CID 170017211
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 70836926
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-[4-(4-fluorophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-17,17,20,20-tetramethyl-24-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086962
12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[4-[4-(1,1,3,3-tetramethyl-2H-inden-5-yl)phenyl]phenyl]indolo[2,3-a]carbazole
CID 167268675
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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?
The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 167267861) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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.
What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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?
The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 is CC1(C)CCC(C)(C)c2cc(-n3c4ccccc4c4cc5c(cc43)c3cc4ccccc4cc3n5-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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?
The InChIKey is KKBSKBJOVQWLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H41N5/c1-50(2)25-26-51(3,4)42-29-36(23-24-41(42)50)55-43-22-14-13-21-37(43)39-30-46-40(31-45(39)55)38-27-34-19-11-12-20-35(34)28-44(38)56(46)49-53-47(32-15-7-5-8-16-32)52-48(54-49)33-17-9-6-10-18-33/h5-24,27-31H,25-26H2,1-4H3.
What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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?
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 has a molecular weight of 723.92 g/mol, XLogP of 12.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-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 is sourced from PubChem (CID 167267861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).