24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C50H32N4 — CID 130266334

IUPAC24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5c4c4c(c6ccccc56)c5ccccc5n4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-4-16-33(17-5-1)48-51-49(34-18-6-2-7-19-34)53-50(52-48)35-30-28-32(29-31-35)43-37-22-10-11-23-38(37)44-39-24-12-13-25-40(39)45-41-26-14-15-27-42(41)54(47(45)46(43)44)36-20-8-3-9-21-36/h1-31,43H
InChIKeyPGGAWAGOUGDJLN-UHFFFAOYSA-N
MW688.83 g/mol
LogP12.28
Rot. Bonds5

About 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 130266334) has the molecular formula C50H32N4 and a molecular weight of 688.83 g/mol. Its IUPAC name is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

Compound Name24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
PubChem CID130266334
Molecular FormulaC50H32N4
Molecular Weight688.83 g/mol
Exact Mass688.26
IUPAC Name24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5c4c4c(c6ccccc56)c5ccccc5n4-c4ccccc4)cc3)n2)cc1
InChIInChI=1S/C50H32N4/c1-4-16-33(17-5-1)48-51-49(34-18-6-2-7-19-34)53-50(52-48)35-30-28-32(29-31-35)43-37-22-10-11-23-38(37)44-39-24-12-13-25-40(39)45-41-26-14-15-27-42(41)54(47(45)46(43)44)36-20-8-3-9-21-36/h1-31,43H
InChIKeyPGGAWAGOUGDJLN-UHFFFAOYSA-N
XLogP12.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene with MolForge

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Related Compounds

3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(9H-fluoren-9-yl)phenyl]indolo[2,3-a]carbazole
CID 170268470
7-carbazol-9-yl-12-phenyl-5-[4-phenyl-6-(9-phenyl-9H-fluoren-4-yl)-1,3,5-triazin-2-yl]indolo[3,2-a]carbazole
CID 168729367
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 131999007
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
24,24-dimethyl-3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 154593145
9-[4-[4-[4-(9H-fluoren-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 58939534
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,7-diphenylindolo[3,2-a]carbazole
CID 126628134
3-(9H-fluoren-9-yl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 176723054
11,12-diphenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
CID 170255530

Frequently Asked Questions

What is the IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The IUPAC name of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 130266334) is 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.
What is the SMILES notation for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The canonical SMILES for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(C4c5ccccc5-c5c4c4c(c6ccccc56)c5ccccc5n4-c4ccccc4)cc3)n2)cc1.
What is the InChIKey of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
The InChIKey is PGGAWAGOUGDJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4/c1-4-16-33(17-5-1)48-51-49(34-18-6-2-7-19-34)53-50(52-48)35-30-28-32(29-31-35)43-37-22-10-11-23-38(37)44-39-24-12-13-25-40(39)45-41-26-14-15-27-42(41)54(47(45)46(43)44)36-20-8-3-9-21-36/h1-31,43H.
What are the key properties of 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?
24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 688.83 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenyl-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 130266334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).