9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

C66H42N8 — CID 58511523

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C66H42N8/c1-5-17-43(18-6-1)61-67-62(44-19-7-2-8-20-44)70-65(69-61)47-29-35-51(36-30-47)73-57-27-15-13-25-53(57)55-41-49(33-39-59(55)73)50-34-40-60-56(42-50)54-26-14-16-28-58(54)74(60)52-37-31-48(32-38-52)66-71-63(45-21-9-3-10-22-45)68-64(72-66)46-23-11-4-12-24-46/h1-42H
InChIKeyGHUQLHZNHKZCEB-UHFFFAOYSA-N
MW947.12 g/mol
LogP15.92
Rot. Bonds9

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (PubChem CID 58511523) has the molecular formula C66H42N8 and a molecular weight of 947.12 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
PubChem CID58511523
Molecular FormulaC66H42N8
Molecular Weight947.12 g/mol
Exact Mass946.35
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1
InChIInChI=1S/C66H42N8/c1-5-17-43(18-6-1)61-67-62(44-19-7-2-8-20-44)70-65(69-61)47-29-35-51(36-30-47)73-57-27-15-13-25-53(57)55-41-49(33-39-59(55)73)50-34-40-60-56(42-50)54-26-14-16-28-58(54)74(60)52-37-31-48(32-38-52)66-71-63(45-21-9-3-10-22-45)68-64(72-66)46-23-11-4-12-24-46/h1-42H
InChIKeyGHUQLHZNHKZCEB-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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole (CID 58511523) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)ccc54)cc3)n2)cc1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
The InChIKey is GHUQLHZNHKZCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N8/c1-5-17-43(18-6-1)61-67-62(44-19-7-2-8-20-44)70-65(69-61)47-29-35-51(36-30-47)73-57-27-15-13-25-53(57)55-41-49(33-39-59(55)73)50-34-40-60-56(42-50)54-26-14-16-28-58(54)74(60)52-37-31-48(32-38-52)66-71-63(45-21-9-3-10-22-45)68-64(72-66)46-23-11-4-12-24-46/h1-42H.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]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 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole is sourced from PubChem (CID 58511523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).