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

C57H34N6 — CID 164748084

IUPAC28-[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
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3c(c1-c1ccccc1-2)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C57H34N6/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)46-27-11-16-32-51(46)63(52)57-59-55(61-47-28-12-7-22-40(47)41-23-8-13-29-48(41)61)58-56(60-57)62-49-30-14-9-24-42(49)43-25-10-15-31-50(43)62/h1-34H/b37-35-,38-36-,45-39-,53-44+
InChIKeyJBTRBTAOZCSLEO-SOPLEVEVSA-N
MW802.94 g/mol
LogP14.14
Rot. Bonds3

About 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

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 (PubChem CID 164748084) has the molecular formula C57H34N6 and a molecular weight of 802.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name28-[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
PubChem CID164748084
Molecular FormulaC57H34N6
Molecular Weight802.94 g/mol
Exact Mass802.28
IUPAC Name28-[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
SMILESc1ccc2c(c1)-c1ccccc1-c1ccc3c(c1-c1ccccc1-2)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1
InChIInChI=1S/C57H34N6/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)46-27-11-16-32-51(46)63(52)57-59-55(61-47-28-12-7-22-40(47)41-23-8-13-29-48(41)61)58-56(60-57)62-49-30-14-9-24-42(49)43-25-10-15-31-50(43)62/h1-34H/b37-35-,38-36-,45-39-,53-44+
InChIKeyJBTRBTAOZCSLEO-SOPLEVEVSA-N
XLogP14.14
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diazaoctacyclo[19.10.1.02,14.03,11.04,9.015,20.022,27.028,32]dotriaconta-1(31),2(14),3(11),4,6,8,12,15,17,19,22,24,26,28(32),29-pentadecaene
CID 135297330
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
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
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 169037359
9-[4-carbazol-9-yl-6-(3-carbazol-9-yltetraphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 152880708
6-(4-phenylquinazolin-2-yl)-6,17-diazaheptacyclo[19.7.1.02,14.05,13.07,12.015,20.025,29]nonacosa-1(28),2(14),3,5(13),7,9,11,15(20),16,18,21,23,25(29),26-tetradecaene
CID 155771553
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
5-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-12-phenylindolo[3,2-c]carbazole;5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-12-phenylindolo[3,2-c]carbazole
CID 159211280
4-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-3,9-diphenylcarbazole
CID 90321724
9-(4-carbazol-9-yl-6-chloro-1,3,5-triazin-2-yl)-1-(2-phenylphenyl)carbazole
CID 178064886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc2c(c1)-c1ccccc1-c1ccc3c(c1-c1ccccc1-2)c1ccccc1n3-c1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1.
What is the InChIKey of 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?
The InChIKey is JBTRBTAOZCSLEO-SOPLEVEVSA-N. The full InChI is InChI=1S/C57H34N6/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)46-27-11-16-32-51(46)63(52)57-59-55(61-47-28-12-7-22-40(47)41-23-8-13-29-48(41)61)58-56(60-57)62-49-30-14-9-24-42(49)43-25-10-15-31-50(43)62/h1-34H/b37-35-,38-36-,45-39-,53-44+.
What are the key properties of 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?
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 has a molecular weight of 802.94 g/mol, XLogP of 14.14, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164748084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).