5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C120H78N10 — CID 165031430

IUPAC5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1
InChIInChI=1S/C63H41N5.C57H37N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50;1-5-18-38(19-6-1)39-32-34-40(35-33-39)43-24-17-25-44(36-43)56-58-55(42-22-9-3-10-23-42)59-57(60-56)62-50-30-15-13-28-46(50)49-37-48(41-20-7-2-8-21-41)52-47-29-14-16-31-51(47)61(54(52)53(49)62)45-26-11-4-12-27-45/h1-41H;1-37H
InChIKeyMSGLFODHKAMYSW-UHFFFAOYSA-N
MW1660.01 g/mol
LogP30.47
Rot. Bonds15

About 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 165031430) has the molecular formula C120H78N10 and a molecular weight of 1660.01 g/mol. Its IUPAC name is 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID165031430
Molecular FormulaC120H78N10
Molecular Weight1660.01 g/mol
Exact Mass1658.64
IUPAC Name5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1
InChIInChI=1S/C63H41N5.C57H37N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50;1-5-18-38(19-6-1)39-32-34-40(35-33-39)43-24-17-25-44(36-43)56-58-55(42-22-9-3-10-23-42)59-57(60-56)62-50-30-15-13-28-46(50)49-37-48(41-20-7-2-8-21-41)52-47-29-14-16-31-51(47)61(54(52)53(49)62)45-26-11-4-12-27-45/h1-41H;1-37H
InChIKeyMSGLFODHKAMYSW-UHFFFAOYSA-N
XLogP30.47
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms130
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.01
LogP ≤ 530.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 165031430) is 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c(-c7ccccc7)c(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc(-c7ccccc7)c7c8ccccc8n(-c8ccccc8)c7c65)n4)c3)cc2)cc1.
What is the InChIKey of 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is MSGLFODHKAMYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5.C57H37N5/c1-6-21-42(22-7-1)43-37-39-44(40-38-43)48-29-20-30-49(41-48)62-64-61(47-27-12-4-13-28-47)65-63(66-62)68-54-36-19-17-34-52(54)58-56(46-25-10-3-11-26-46)55(45-23-8-2-9-24-45)57-51-33-16-18-35-53(51)67(59(57)60(58)68)50-31-14-5-15-32-50;1-5-18-38(19-6-1)39-32-34-40(35-33-39)43-24-17-25-44(36-43)56-58-55(42-22-9-3-10-23-42)59-57(60-56)62-50-30-15-13-28-46(50)49-37-48(41-20-7-2-8-21-41)52-47-29-14-16-31-51(47)61(54(52)53(49)62)45-26-11-4-12-27-45/h1-41H;1-37H.
What are the key properties of 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1660.01 g/mol, XLogP of 30.47, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-diphenyl-11-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;5,6,11-triphenyl-12-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 165031430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).