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

C54H34N8 — CID 146573165

IUPAC3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-52(38-29-31-47-43(33-38)41-25-13-15-27-45(41)61(47)40-23-11-4-12-24-40)58-53(56-49)39-30-32-48-44(34-39)42-26-14-16-28-46(42)62(48)54-59-50(36-19-7-2-8-20-36)57-51(60-54)37-21-9-3-10-22-37/h1-34H
InChIKeyKDMIFULUUSTGLB-UHFFFAOYSA-N
MW794.92 g/mol
LogP12.59
Rot. Bonds7

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

3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 146573165) has the molecular formula C54H34N8 and a molecular weight of 794.92 g/mol. Its IUPAC name is 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID146573165
Molecular FormulaC54H34N8
Molecular Weight794.92 g/mol
Exact Mass794.29
IUPAC Name3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1
InChIInChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-52(38-29-31-47-43(33-38)41-25-13-15-27-45(41)61(47)40-23-11-4-12-24-40)58-53(56-49)39-30-32-48-44(34-39)42-26-14-16-28-46(42)62(48)54-59-50(36-19-7-2-8-20-36)57-51(60-54)37-21-9-3-10-22-37/h1-34H
InChIKeyKDMIFULUUSTGLB-UHFFFAOYSA-N
XLogP12.59
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.92
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-phenyl-9-[4-[3-(9-phenylcarbazol-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 137401861
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,6-bis[9-(4-methylphenyl)carbazol-3-yl]carbazole
CID 58556534
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
3-[9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-[4-[3-[4-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazol-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 155257157
3-phenyl-9-[4-[3-(9-phenylcarbazol-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;3-phenyl-9-[4-(9-phenylcarbazol-3-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 158449783

Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 146573165) is 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.
What is the InChIKey of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is KDMIFULUUSTGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N8/c1-5-17-35(18-6-1)49-55-52(38-29-31-47-43(33-38)41-25-13-15-27-45(41)61(47)40-23-11-4-12-24-40)58-53(56-49)39-30-32-48-44(34-39)42-26-14-16-28-46(42)62(48)54-59-50(36-19-7-2-8-20-36)57-51(60-54)37-21-9-3-10-22-37/h1-34H.
What are the key properties of 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 794.92 g/mol, XLogP of 12.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 146573165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).