12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole

C63H37N9 — CID 134240308

IUPAC12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-n8c9ccccc9c9ccccc98)nc(-n8c9ccccc9c9ccccc98)n7)c6c54)nc3c3ncccc23)cc1
InChIInChI=1S/C63H37N9/c1-2-17-38(18-3-1)49-37-39-32-35-56(65-57(39)58-46(49)25-16-36-64-58)71-54-30-14-8-23-44(54)47-33-34-48-45-24-9-15-31-55(45)72(60(48)59(47)71)63-67-61(69-50-26-10-4-19-40(50)41-20-5-11-27-51(41)69)66-62(68-63)70-52-28-12-6-21-42(52)43-22-7-13-29-53(43)70/h1-37H
InChIKeyVNCLDHBZPKKSIA-UHFFFAOYSA-N
MW920.05 g/mol
LogP15.02
Rot. Bonds5

About 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole

12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole (PubChem CID 134240308) has the molecular formula C63H37N9 and a molecular weight of 920.05 g/mol. Its IUPAC name is 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole
PubChem CID134240308
Molecular FormulaC63H37N9
Molecular Weight920.05 g/mol
Exact Mass919.32
IUPAC Name12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2cc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-n8c9ccccc9c9ccccc98)nc(-n8c9ccccc9c9ccccc98)n7)c6c54)nc3c3ncccc23)cc1
InChIInChI=1S/C63H37N9/c1-2-17-38(18-3-1)49-37-39-32-35-56(65-57(39)58-46(49)25-16-36-64-58)71-54-30-14-8-23-44(54)47-33-34-48-45-24-9-15-31-55(45)72(60(48)59(47)71)63-67-61(69-50-26-10-4-19-40(50)41-20-5-11-27-51(41)69)66-62(68-63)70-52-28-12-6-21-42(52)43-22-7-13-29-53(43)70/h1-37H
InChIKeyVNCLDHBZPKKSIA-UHFFFAOYSA-N
XLogP15.02
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.05
LogP ≤ 515.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole?
The IUPAC name of 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole (CID 134240308) is 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole is c1ccc(-c2cc3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-n8c9ccccc9c9ccccc98)nc(-n8c9ccccc9c9ccccc98)n7)c6c54)nc3c3ncccc23)cc1.
What is the InChIKey of 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole?
The InChIKey is VNCLDHBZPKKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H37N9/c1-2-17-38(18-3-1)49-37-39-32-35-56(65-57(39)58-46(49)25-16-36-64-58)71-54-30-14-8-23-44(54)47-33-34-48-45-24-9-15-31-55(45)72(60(48)59(47)71)63-67-61(69-50-26-10-4-19-40(50)41-20-5-11-27-51(41)69)66-62(68-63)70-52-28-12-6-21-42(52)43-22-7-13-29-53(43)70/h1-37H.
What are the key properties of 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole?
12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole has a molecular weight of 920.05 g/mol, XLogP of 15.02, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-(6-phenyl-1,10-phenanthrolin-2-yl)indolo[2,3-a]carbazole is sourced from PubChem (CID 134240308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).