12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole

C70H46N4 — CID 58142117

IUPAC12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)c2)cc1
InChIInChI=1S/C70H46N4/c1-7-23-47(24-8-1)53-41-54(48-25-9-2-10-26-48)44-57(43-53)70(58-45-55(49-27-11-3-12-28-49)42-56(46-58)50-29-13-4-14-30-50)63-37-21-19-35-59(63)61-39-40-62-60-36-20-22-38-64(60)74(66(62)65(61)70)69-72-67(51-31-15-5-16-32-51)71-68(73-69)52-33-17-6-18-34-52/h1-46H
InChIKeyVCGOHMBDWMCAJL-UHFFFAOYSA-N
MW943.17 g/mol
LogP17.33
Rot. Bonds9

About 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole

12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole (PubChem CID 58142117) has the molecular formula C70H46N4 and a molecular weight of 943.17 g/mol. Its IUPAC name is 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole.

Molecular Properties

Compound Name12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
PubChem CID58142117
Molecular FormulaC70H46N4
Molecular Weight943.17 g/mol
Exact Mass942.37
IUPAC Name12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(C3(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)c2)cc1
InChIInChI=1S/C70H46N4/c1-7-23-47(24-8-1)53-41-54(48-25-9-2-10-26-48)44-57(43-53)70(58-45-55(49-27-11-3-12-28-49)42-56(46-58)50-29-13-4-14-30-50)63-37-21-19-35-59(63)61-39-40-62-60-36-20-22-38-64(60)74(66(62)65(61)70)69-72-67(51-31-15-5-16-32-51)71-68(73-69)52-33-17-6-18-34-52/h1-46H
InChIKeyVCGOHMBDWMCAJL-UHFFFAOYSA-N
XLogP17.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.17
LogP ≤ 517.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11,12-bis(3,5-diphenylphenyl)-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole
CID 143873592
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 161266285
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-diphenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,12,12-triphenylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,12,12-triphenylindeno[2,1-a]carbazole
CID 158116203
12,12-diphenyl-11-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-a]carbazole
CID 126580433
12,12-dimethyl-11-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indeno[2,1-a]carbazole
CID 163675425
11-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-diphenylindeno[2,1-a]carbazole
CID 131973034
11'-(3,5-diphenylphenyl)spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 118331859
11'-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3,4-triphenyl-6-(4-spiro[fluorene-9,12'-indeno[2,1-a]carbazole]-11'-ylphenyl)phenyl]phenyl]-3,4,5-triphenylphenyl]phenyl]spiro[fluorene-9,12'-indeno[2,1-a]carbazole]
CID 147429152
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
5-[2-[4-(9,9-diphenylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-c]carbazole
CID 169037384
11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309

Frequently Asked Questions

What is the IUPAC name of 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?
The IUPAC name of 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole (CID 58142117) is 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole.
What is the SMILES notation for 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?
The canonical SMILES for 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(C3(c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc4-c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)c2)cc1.
What is the InChIKey of 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?
The InChIKey is VCGOHMBDWMCAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N4/c1-7-23-47(24-8-1)53-41-54(48-25-9-2-10-26-48)44-57(43-53)70(58-45-55(49-27-11-3-12-28-49)42-56(46-58)50-29-13-4-14-30-50)63-37-21-19-35-59(63)61-39-40-62-60-36-20-22-38-64(60)74(66(62)65(61)70)69-72-67(51-31-15-5-16-32-51)71-68(73-69)52-33-17-6-18-34-52/h1-46H.
What are the key properties of 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole?
12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole has a molecular weight of 943.17 g/mol, XLogP of 17.33, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12,12-bis(3,5-diphenylphenyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[2,1-a]carbazole is sourced from PubChem (CID 58142117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).