5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C82H50N8 — CID 153432171

IUPAC5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C82H50N8/c1-83-57-42-38-52(39-43-57)55-40-44-62(75(51-55)90-71-37-21-17-33-66(71)77-74(90)49-46-64-61-31-15-19-35-69(61)88(79(64)77)59-28-12-5-13-29-59)67-50-56(82-85-80(53-22-6-2-7-23-53)84-81(86-82)54-24-8-3-9-25-54)41-47-72(67)89-70-36-20-16-32-65(70)76-73(89)48-45-63-60-30-14-18-34-68(60)87(78(63)76)58-26-10-4-11-27-58/h2-51H
InChIKeyVAHROFPPBJVLJV-UHFFFAOYSA-N
MW1147.36 g/mol
LogP21.15
Rot. Bonds9

About 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 153432171) has the molecular formula C82H50N8 and a molecular weight of 1147.36 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID153432171
Molecular FormulaC82H50N8
Molecular Weight1147.36 g/mol
Exact Mass1146.42
IUPAC Name5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C82H50N8/c1-83-57-42-38-52(39-43-57)55-40-44-62(75(51-55)90-71-37-21-17-33-66(71)77-74(90)49-46-64-61-31-15-19-35-69(61)88(79(64)77)59-28-12-5-13-29-59)67-50-56(82-85-80(53-22-6-2-7-23-53)84-81(86-82)54-24-8-3-9-25-54)41-47-72(67)89-70-36-20-16-32-65(70)76-73(89)48-45-63-60-30-14-18-34-68(60)87(78(63)76)58-26-10-4-11-27-58/h2-51H
InChIKeyVAHROFPPBJVLJV-UHFFFAOYSA-N
XLogP21.15
TPSA62.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.36
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[5-(3-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 153432206
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 149424415
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 162500605
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 170267809
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[4-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-isocyanophenyl]carbazole
CID 170664788
12-[2-[4-carbazol-9-yl-6-[4-(2-isocyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-isocyanophenyl]-5-phenylindolo[3,2-c]carbazole
CID 170533192
9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4-isocyanophenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170533107
3,6-di(carbazol-9-yl)-9-[2-[2-[3,6-di(carbazol-9-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-isocyanophenyl]carbazole
CID 154602990
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-isocyanocarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 155628228
12-(2,5-diphenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 167154472
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
5-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 155463086

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 153432171) is 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is [C-]#[N+]c1ccc(-c2ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is VAHROFPPBJVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H50N8/c1-83-57-42-38-52(39-43-57)55-40-44-62(75(51-55)90-71-37-21-17-33-66(71)77-74(90)49-46-64-61-31-15-19-35-69(61)88(79(64)77)59-28-12-5-13-29-59)67-50-56(82-85-80(53-22-6-2-7-23-53)84-81(86-82)54-24-8-3-9-25-54)41-47-72(67)89-70-36-20-16-32-65(70)76-73(89)48-45-63-60-30-14-18-34-68(60)87(78(63)76)58-26-10-4-11-27-58/h2-51H.
What are the key properties of 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1147.36 g/mol, XLogP of 21.15, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(4-isocyanophenyl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 153432171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).