9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

C57H35N7 — CID 171578315

IUPAC9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1nc(-c2c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C57H35N7/c1-9-26-44-36(18-1)37-19-2-10-27-45(37)61(44)52-34-17-35-53(62-46-28-11-3-20-38(46)39-21-4-12-29-47(39)62)54(52)55-58-56(63-48-30-13-5-22-40(48)41-23-6-14-31-49(41)63)60-57(59-55)64-50-32-15-7-24-42(50)43-25-8-16-33-51(43)64/h1-35H/i1D,2D,3D,4D,5D,7D,9D,10D,11D,12D,13D,15D,18D,19D,20D,21D,22D,24D,26D,27D,28D,29D,30D,32D
InChIKeyRGSALWIYENAJGK-VYSLAYEHSA-N
MW842.10 g/mol
LogP13.93
Rot. Bonds5

About 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole

9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (PubChem CID 171578315) has the molecular formula C57H35N7 and a molecular weight of 842.10 g/mol. Its IUPAC name is 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.

Molecular Properties

Compound Name9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
PubChem CID171578315
Molecular FormulaC57H35N7
Molecular Weight842.10 g/mol
Exact Mass841.45
IUPAC Name9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
SMILES[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1nc(-c2c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1
InChIInChI=1S/C57H35N7/c1-9-26-44-36(18-1)37-19-2-10-27-45(37)61(44)52-34-17-35-53(62-46-28-11-3-20-38(46)39-21-4-12-29-47(39)62)54(52)55-58-56(63-48-30-13-5-22-40(48)41-23-6-14-31-49(41)63)60-57(59-55)64-50-32-15-7-24-42(50)43-25-8-16-33-51(43)64/h1-35H/i1D,2D,3D,4D,5D,7D,9D,10D,11D,12D,13D,15D,18D,19D,20D,21D,22D,24D,26D,27D,28D,29D,30D,32D
InChIKeyRGSALWIYENAJGK-VYSLAYEHSA-N
XLogP13.93
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.10
LogP ≤ 513.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole with MolForge

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Related Compounds

9-[2-[4-carbazol-9-yl-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578328
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578357
9-[4-[2-carbazol-9-yl-6-(4-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578279
1,2,3,4,5,6,7,8-octadeuterio-9-[2,3,4,5-tetradeuterio-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 164788520
9-[4-(2-carbazol-9-yl-6-dibenzothiophen-1-ylphenyl)-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578172
20-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,5,6,9,10,11,12,15,16,17,18,22,23,24,25-hexadecadeuterio-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 177285032
1,2,3,4,5,6,7,8-octadeuterio-9-[4-[1,2,3,4,5,7,8-heptadeuterio-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]-6-[2-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578517
9-[4-(2-carbazol-9-yltetraphenylen-1-yl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 176765538
9-[4-(2-carbazol-9-yl-5-phenylphenyl)-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
CID 171578367
3-carbazol-9-yl-1,2,4,5,6,7,8-heptadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[2,3,4,5-tetradeuterio-6-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171578351
9-[4-[2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)phenyl]-6-(1,2,3,4-tetradeuteriocarbazol-9-yl)pyrimidin-2-yl]-1,2,3,4-tetradeuteriocarbazole
CID 171578630
1,2,3,4,5,6,7,8-octadeuterio-9-[4-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 177267965

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The IUPAC name of 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole (CID 171578315) is 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole.
What is the SMILES notation for 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The canonical SMILES for 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1nc(-c2c(-n3c4c([2H])c([2H])c([2H])c([2H])c4c4c([2H])c([2H])c([2H])c([2H])c43)cccc2-n2c3c([2H])c([2H])c([2H])c([2H])c3c3c([2H])c([2H])c([2H])c([2H])c32)nc(-n2c3ccccc3c3c([2H])c([2H])c([2H])c([2H])c32)n1.
What is the InChIKey of 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
The InChIKey is RGSALWIYENAJGK-VYSLAYEHSA-N. The full InChI is InChI=1S/C57H35N7/c1-9-26-44-36(18-1)37-19-2-10-27-45(37)61(44)52-34-17-35-53(62-46-28-11-3-20-38(46)39-21-4-12-29-47(39)62)54(52)55-58-56(63-48-30-13-5-22-40(48)41-23-6-14-31-49(41)63)60-57(59-55)64-50-32-15-7-24-42(50)43-25-8-16-33-51(43)64/h1-35H/i1D,2D,3D,4D,5D,7D,9D,10D,11D,12D,13D,15D,18D,19D,20D,21D,22D,24D,26D,27D,28D,29D,30D,32D.
What are the key properties of 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole?
9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole has a molecular weight of 842.10 g/mol, XLogP of 13.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4,6-bis(1,2,3,4-tetradeuteriocarbazol-9-yl)-1,3,5-triazin-2-yl]-3-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)phenyl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole is sourced from PubChem (CID 171578315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).