5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C91H57N9 — CID 156556355

IUPAC5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccc%13[nH]c%14ccccc%14c%13c%12%11)cc%10)c9)c8)nc(-c8ccccc8)n7)c6)n5)c43)c2)cc1
InChIInChI=1S/C91H57N9/c1-4-22-57(23-5-1)64-31-21-35-69(55-64)99-81-42-16-12-37-71(81)73-49-51-83-85(87(73)99)75-39-13-17-43-82(75)100(83)91-96-89(60-26-8-3-9-27-60)95-90(97-91)67-34-20-33-66(54-67)79-56-78(93-88(94-79)59-24-6-2-7-25-59)65-32-19-30-63(53-65)62-29-18-28-61(52-62)58-44-46-68(47-45-58)98-80-41-15-11-36-70(80)72-48-50-77-84(86(72)98)74-38-10-14-40-76(74)92-77/h1-56,92H
InChIKeyRPSMEVWCBMBLGY-UHFFFAOYSA-N
MW1276.52 g/mol
LogP22.92
Rot. Bonds11

About 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 156556355) has the molecular formula C91H57N9 and a molecular weight of 1276.52 g/mol. Its IUPAC name is 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID156556355
Molecular FormulaC91H57N9
Molecular Weight1276.52 g/mol
Exact Mass1275.47
IUPAC Name5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccc%13[nH]c%14ccccc%14c%13c%12%11)cc%10)c9)c8)nc(-c8ccccc8)n7)c6)n5)c43)c2)cc1
InChIInChI=1S/C91H57N9/c1-4-22-57(23-5-1)64-31-21-35-69(55-64)99-81-42-16-12-37-71(81)73-49-51-83-85(87(73)99)75-39-13-17-43-82(75)100(83)91-96-89(60-26-8-3-9-27-60)95-90(97-91)67-34-20-33-66(54-67)79-56-78(93-88(94-79)59-24-6-2-7-25-59)65-32-19-30-63(53-65)62-29-18-28-61(52-62)58-44-46-68(47-45-58)98-80-41-15-11-36-70(80)72-48-50-77-84(86(72)98)74-38-10-14-40-76(74)92-77/h1-56,92H
InChIKeyRPSMEVWCBMBLGY-UHFFFAOYSA-N
XLogP22.92
TPSA95.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001276.52
LogP ≤ 522.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole with MolForge

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Related Compounds

12-phenyl-5-[4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 164799948
12-(3-phenylphenyl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 134507233
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 161319412
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
12-(4-phenylphenyl)-5-[3-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 155240814
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159270827
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 170268443
5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289111
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
5-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 169014315

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 156556355) is 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5nc(-c6ccccc6)nc(-c6cccc(-c7cc(-c8cccc(-c9cccc(-c%10ccc(-n%11c%12ccccc%12c%12ccc%13[nH]c%14ccccc%14c%13c%12%11)cc%10)c9)c8)nc(-c8ccccc8)n7)c6)n5)c43)c2)cc1.
What is the InChIKey of 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is RPSMEVWCBMBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H57N9/c1-4-22-57(23-5-1)64-31-21-35-69(55-64)99-81-42-16-12-37-71(81)73-49-51-83-85(87(73)99)75-39-13-17-43-82(75)100(83)91-96-89(60-26-8-3-9-27-60)95-90(97-91)67-34-20-33-66(54-67)79-56-78(93-88(94-79)59-24-6-2-7-25-59)65-32-19-30-63(53-65)62-29-18-28-61(52-62)58-44-46-68(47-45-58)98-80-41-15-11-36-70(80)72-48-50-77-84(86(72)98)74-38-10-14-40-76(74)92-77/h1-56,92H.
What are the key properties of 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 1276.52 g/mol, XLogP of 22.92, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[6-[3-[3-[4-(5H-indolo[3,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 156556355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).