16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene

C40H28N4 — CID 122464806

IUPAC16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H28N4/c1-40(2)32-19-11-9-18-29(32)36-30-24-31-28-17-10-12-20-34(28)44(35(31)23-27(30)21-22-33(36)40)39-42-37(25-13-5-3-6-14-25)41-38(43-39)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyWGSURFOGYSKDBC-UHFFFAOYSA-N
MW564.69 g/mol
LogP9.76
Rot. Bonds3

About 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene

16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene (PubChem CID 122464806) has the molecular formula C40H28N4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
PubChem CID122464806
Molecular FormulaC40H28N4
Molecular Weight564.69 g/mol
Exact Mass564.23
IUPAC Name16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
SMILESCC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C40H28N4/c1-40(2)32-19-11-9-18-29(32)36-30-24-31-28-17-10-12-20-34(28)44(35(31)23-27(30)21-22-33(36)40)39-42-37(25-13-5-3-6-14-25)41-38(43-39)26-15-7-4-8-16-26/h3-24H,1-2H3
InChIKeyWGSURFOGYSKDBC-UHFFFAOYSA-N
XLogP9.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene with MolForge

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Related Compounds

7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
12-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 162362960
9-[4-carbazol-9-yl-6-[4-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazin-2-yl]-2,7-diphenylcarbazole
CID 168742594
12-[4-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 169014344
9,9-dimethyl-16-(9-phenylcarbazol-3-yl)-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene
CID 126718190
2-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 90276293
9-[3-[4-carbazol-9-yl-6-(9,9-dimethylfluoren-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163655067
5-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-7-(2-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542497
1-(7,7-dimethylbenzo[c]fluoren-10-yl)-9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 142571330
5-(9,9-dimethylfluoren-4-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]indole
CID 129174065
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132

Frequently Asked Questions

What is the IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene?
The IUPAC name of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene (CID 122464806) is 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene?
The canonical SMILES for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene is CC1(C)c2ccccc2-c2c1ccc1cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene?
The InChIKey is WGSURFOGYSKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28N4/c1-40(2)32-19-11-9-18-29(32)36-30-24-31-28-17-10-12-20-34(28)44(35(31)23-27(30)21-22-33(36)40)39-42-37(25-13-5-3-6-14-25)41-38(43-39)26-15-7-4-8-16-26/h3-24H,1-2H3.
What are the key properties of 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene?
16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene has a molecular weight of 564.69 g/mol, XLogP of 9.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethyl-16-azahexacyclo[11.11.0.02,10.03,8.015,23.017,22]tetracosa-1(24),2(10),3,5,7,11,13,15(23),17,19,21-undecaene is sourced from PubChem (CID 122464806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).