5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

C75H48N12 — CID 154597697

IUPAC5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C75H48N12/c1-7-25-49(26-8-1)67-76-68(50-27-9-2-10-28-50)79-73(78-67)55-43-45-62(59(47-55)74-81-69(51-29-11-3-12-30-51)77-70(82-74)52-31-13-4-14-32-52)86-63-41-23-24-42-64(63)87(75-83-71(53-33-15-5-16-34-53)80-72(84-75)54-35-17-6-18-36-54)66-48-56(44-46-65(66)86)85-60-39-21-19-37-57(60)58-38-20-22-40-61(58)85/h1-48H
InChIKeyVDLDOIFMLVUVLX-UHFFFAOYSA-N
MW1117.29 g/mol
LogP17.93
Rot. Bonds11

About 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine

5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (PubChem CID 154597697) has the molecular formula C75H48N12 and a molecular weight of 1117.29 g/mol. Its IUPAC name is 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.

Molecular Properties

Compound Name5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
PubChem CID154597697
Molecular FormulaC75H48N12
Molecular Weight1117.29 g/mol
Exact Mass1116.41
IUPAC Name5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C75H48N12/c1-7-25-49(26-8-1)67-76-68(50-27-9-2-10-28-50)79-73(78-67)55-43-45-62(59(47-55)74-81-69(51-29-11-3-12-30-51)77-70(82-74)52-31-13-4-14-32-52)86-63-41-23-24-42-64(63)87(75-83-71(53-33-15-5-16-34-53)80-72(84-75)54-35-17-6-18-36-54)66-48-56(44-46-65(66)86)85-60-39-21-19-37-57(60)58-38-20-22-40-61(58)85/h1-48H
InChIKeyVDLDOIFMLVUVLX-UHFFFAOYSA-N
XLogP17.93
TPSA127.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.29
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine with MolForge

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Related Compounds

9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
9-[2-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-4-carbazol-9-ylphenyl]carbazole
CID 148501537
5-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine
CID 154597654
9-[7-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)tetraphenylen-2-yl]carbazole
CID 119078686
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
5-(4,6-diphenylpyrimidin-2-yl)-10-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenazine
CID 154597670
9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421093
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isocyanophenazine
CID 154597734
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
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730
5-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-pyrido[4,3-b]indol-5-ylphenyl]pyrido[4,3-b]indole
CID 176634658

Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The IUPAC name of 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine (CID 154597697) is 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine.
What is the SMILES notation for 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The canonical SMILES for 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(N4c5ccccc5N(c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
The InChIKey is VDLDOIFMLVUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H48N12/c1-7-25-49(26-8-1)67-76-68(50-27-9-2-10-28-50)79-73(78-67)55-43-45-62(59(47-55)74-81-69(51-29-11-3-12-30-51)77-70(82-74)52-31-13-4-14-32-52)86-63-41-23-24-42-64(63)87(75-83-71(53-33-15-5-16-34-53)80-72(84-75)54-35-17-6-18-36-54)66-48-56(44-46-65(66)86)85-60-39-21-19-37-57(60)58-38-20-22-40-61(58)85/h1-48H.
What are the key properties of 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine?
5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine has a molecular weight of 1117.29 g/mol, XLogP of 17.93, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-carbazol-9-yl-10-(4,6-diphenyl-1,3,5-triazin-2-yl)phenazine is sourced from PubChem (CID 154597697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).