24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene

C58H34N8 — CID 164748139

IUPAC24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3c(nc4n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c5ccccc5n34)c1-c1ccccc1-2
InChIInChI=1S/C58H34N8/c1-2-18-36-35(17-1)37-19-3-4-21-39(37)45-33-34-52-54(53(45)44-26-6-5-20-38(36)44)59-58-65(52)50-31-15-16-32-51(50)66(58)57-61-55(63-46-27-11-7-22-40(46)41-23-8-12-28-47(41)63)60-56(62-57)64-48-29-13-9-24-42(48)43-25-10-14-30-49(43)64/h1-34H/b37-35-,38-36-,45-39-,53-44+
InChIKeyRCBXVEDOGTYPSR-SOPLEVEVSA-N
MW842.97 g/mol
LogP13.79
Rot. Bonds3

About 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene

24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene (PubChem CID 164748139) has the molecular formula C58H34N8 and a molecular weight of 842.97 g/mol. Its IUPAC name is 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene.

Molecular Properties

Compound Name24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene
PubChem CID164748139
Molecular FormulaC58H34N8
Molecular Weight842.97 g/mol
Exact Mass842.29
IUPAC Name24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3c(nc4n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c5ccccc5n34)c1-c1ccccc1-2
InChIInChI=1S/C58H34N8/c1-2-18-36-35(17-1)37-19-3-4-21-39(37)45-33-34-52-54(53(45)44-26-6-5-20-38(36)44)59-58-65(52)50-31-15-16-32-51(50)66(58)57-61-55(63-46-27-11-7-22-40(46)41-23-8-12-28-47(41)63)60-56(62-57)64-48-29-13-9-24-42(48)43-25-10-14-30-49(43)64/h1-34H/b37-35-,38-36-,45-39-,53-44+
InChIKeyRCBXVEDOGTYPSR-SOPLEVEVSA-N
XLogP13.79
TPSA70.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.97
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene with MolForge

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Related Compounds

28-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-28-azaheptacyclo[18.11.0.02,7.08,13.014,19.021,29.022,27]hentriaconta-1(20),2,4,6,8,10,12,14,16,18,21(29),22,24,26,30-pentadecaene
CID 164748084
24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-20,22,29-triazaoctacyclo[18.13.1.02,7.08,13.014,19.021,29.023,28.030,34]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,21,23,25,27,30,32-hexadecaene
CID 168811097
5-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811214
6-[4-(2,3-dimethylphenyl)-6-(4-methylbenzimidazolo[1,2-a]benzimidazol-6-yl)-1,3,5-triazin-2-yl]-4-methylbenzimidazolo[1,2-a]benzimidazole
CID 170295075
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
triphenyl-[3-[4-(3-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-6-(3-phenyl-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaen-21-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 155603158
5-[9-[4-carbazol-9-yl-6-(2-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 146626433
2-carbazol-9-yl-6-[2-(2-carbazol-9-ylphenyl)tetraphenylen-1-yl]benzimidazolo[1,2-a]benzimidazole
CID 168811192
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320
2-carbazol-9-yl-5-[2-(1-carbazol-9-yltetraphenylen-2-yl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 168811268
9-[4-carbazol-9-yl-6-(9H-fluoren-9-yl)-1,3,5-triazin-2-yl]carbazole
CID 176647122
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708

Frequently Asked Questions

What is the IUPAC name of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene?
The IUPAC name of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene (CID 164748139) is 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene.
What is the SMILES notation for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene?
The canonical SMILES for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene is c1ccc2c(c1)-c1ccccc1-c1ccc3c(nc4n(-c5nc(-n6c7ccccc7c7ccccc76)nc(-n6c7ccccc7c7ccccc76)n5)c5ccccc5n34)c1-c1ccccc1-2.
What is the InChIKey of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene?
The InChIKey is RCBXVEDOGTYPSR-SOPLEVEVSA-N. The full InChI is InChI=1S/C58H34N8/c1-2-18-36-35(17-1)37-19-3-4-21-39(37)45-33-34-52-54(53(45)44-26-6-5-20-38(36)44)59-58-65(52)50-31-15-16-32-51(50)66(58)57-61-55(63-46-27-11-7-22-40(46)41-23-8-12-28-47(41)63)60-56(62-57)64-48-29-13-9-24-42(48)43-25-10-14-30-49(43)64/h1-34H/b37-35-,38-36-,45-39-,53-44+.
What are the key properties of 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene?
24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene has a molecular weight of 842.97 g/mol, XLogP of 13.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 24-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-22,24,31-triazaoctacyclo[18.14.0.02,7.08,13.014,19.021,32.023,31.025,30]tetratriaconta-1(20),2,4,6,8,10,12,14,16,18,21(32),22,25,27,29,33-hexadecaene is sourced from PubChem (CID 164748139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).