11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole

C66H42N8 — CID 162481748

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C66H42N8/c1-6-22-43(23-7-1)49-32-16-17-35-52(49)65-70-63(46-28-12-4-13-29-46)71-66(72-65)55-40-47(64-68-61(44-24-8-2-9-25-44)67-62(69-64)45-26-10-3-11-27-45)38-39-58(55)74-57-37-21-19-34-51(57)54-41-59-53(42-60(54)74)50-33-18-20-36-56(50)73(59)48-30-14-5-15-31-48/h1-42H
InChIKeyMVULGDSFWIGCDV-UHFFFAOYSA-N
MW947.12 g/mol
LogP15.92
Rot. Bonds9

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole (PubChem CID 162481748) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
PubChem CID162481748
Molecular FormulaC66H42N8
Molecular Weight947.12 g/mol
Exact Mass946.35
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C66H42N8/c1-6-22-43(23-7-1)49-32-16-17-35-52(49)65-70-63(46-28-12-4-13-29-46)71-66(72-65)55-40-47(64-68-61(44-24-8-2-9-25-44)67-62(69-64)45-26-10-3-11-27-45)38-39-58(55)74-57-37-21-19-34-51(57)54-41-59-53(42-60(54)74)50-33-18-20-36-56(50)73(59)48-30-14-5-15-31-48/h1-42H
InChIKeyMVULGDSFWIGCDV-UHFFFAOYSA-N
XLogP15.92
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500947.12
LogP ≤ 515.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole with MolForge

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Related Compounds

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 170111574
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232537
11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole;ethane
CID 144644723
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137421138
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155232535
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-carbazol-9-ylcarbazole
CID 137421301
9-[2-[4-[4-(4-carbazol-9-yl-3-phenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 139303288
11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901
5-[2-(4-phenylphenyl)-4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155450759
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 155232297
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 170267943
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808

Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole (CID 162481748) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?
The InChIKey is MVULGDSFWIGCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8/c1-6-22-43(23-7-1)49-32-16-17-35-52(49)65-70-63(46-28-12-4-13-29-46)71-66(72-65)55-40-47(64-68-61(44-24-8-2-9-25-44)67-62(69-64)45-26-10-3-11-27-45)38-39-58(55)74-57-37-21-19-34-51(57)54-41-59-53(42-60(54)74)50-33-18-20-36-56(50)73(59)48-30-14-5-15-31-48/h1-42H.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole has a molecular weight of 947.12 g/mol, XLogP of 15.92, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 162481748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).