9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane

C65H46N6 — CID 144659402

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
SMILESCC.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H40N6.C2H6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44;1-2/h1-40H;1-2H3
InChIKeyLHZNDUMAUXRFFO-UHFFFAOYSA-N
MW911.12 g/mol
LogP16.86
Rot. Bonds7

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane (PubChem CID 144659402) has the molecular formula C65H46N6 and a molecular weight of 911.12 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
PubChem CID144659402
Molecular FormulaC65H46N6
Molecular Weight911.12 g/mol
Exact Mass910.38
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane
SMILESCC.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C63H40N6.C2H6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44;1-2/h1-40H;1-2H3
InChIKeyLHZNDUMAUXRFFO-UHFFFAOYSA-N
XLogP16.86
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.12
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 88866667
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
3-carbazol-9-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170132851
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 121475607
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
9-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-2,7-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878720
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis[4-(2-phenylcarbazol-9-yl)phenyl]carbazole
CID 88878713
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane (CID 144659402) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane is CC.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)c4cc(-n6c7ccccc7c7ccc(-c8ccccc8)cc76)ccc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane?
The InChIKey is LHZNDUMAUXRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6.C2H6/c1-5-17-41(18-6-1)45-29-33-51-49-25-13-15-27-55(49)67(59(51)37-45)47-31-35-57-53(39-47)54-40-48(68-56-28-16-14-26-50(56)52-34-30-46(38-60(52)68)42-19-7-2-8-20-42)32-36-58(54)69(57)63-65-61(43-21-9-3-10-22-43)64-62(66-63)44-23-11-4-12-24-44;1-2/h1-40H;1-2H3.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane has a molecular weight of 911.12 g/mol, XLogP of 16.86, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis(2-phenylcarbazol-9-yl)carbazole;ethane is sourced from PubChem (CID 144659402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).