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

C60H39N7 — CID 146648747

IUPAC3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H39N7/c1-7-21-40(22-8-1)50-38-46(39-51-49-33-19-20-34-53(49)67(54(50)51)47-31-17-6-18-32-47)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)37-52(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H
InChIKeyFXAFYESFZJYMMC-UHFFFAOYSA-N
MW858.02 g/mol
LogP14.49
Rot. Bonds9

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

3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (PubChem CID 146648747) has the molecular formula C60H39N7 and a molecular weight of 858.02 g/mol. Its IUPAC name is 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
PubChem CID146648747
Molecular FormulaC60H39N7
Molecular Weight858.02 g/mol
Exact Mass857.33
IUPAC Name3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1
InChIInChI=1S/C60H39N7/c1-7-21-40(22-8-1)50-38-46(39-51-49-33-19-20-34-53(49)67(54(50)51)47-31-17-6-18-32-47)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)37-52(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H
InChIKeyFXAFYESFZJYMMC-UHFFFAOYSA-N
XLogP14.49
TPSA82.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.02
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[9-[4-[4-(2,5-diphenylphenyl)-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 134236859
4-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648753
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
CID 90296192
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
3-[2-[2,6-bis(2,6-diphenyl-4-pyridinyl)-4-pyridinyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139533350
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,9-diphenylcarbazole
CID 146648749
2-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648358
9-[4-[4,6-bis(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 23527808
3-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole
CID 146648799
1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-4-(9-phenylcarbazol-3-yl)carbazole
CID 134598241
9-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-4-phenylphenyl]carbazole
CID 166504730

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The IUPAC name of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole (CID 146648747) is 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole.
What is the SMILES notation for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The canonical SMILES for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)n2)cc1.
What is the InChIKey of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
The InChIKey is FXAFYESFZJYMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N7/c1-7-21-40(22-8-1)50-38-46(39-51-49-33-19-20-34-53(49)67(54(50)51)47-31-17-6-18-32-47)48-36-35-45(59-63-55(41-23-9-2-10-24-41)61-56(64-59)42-25-11-3-12-26-42)37-52(48)60-65-57(43-27-13-4-14-28-43)62-58(66-60)44-29-15-5-16-30-44/h1-39H.
What are the key properties of 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole?
3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole has a molecular weight of 858.02 g/mol, XLogP of 14.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,9-diphenylcarbazole is sourced from PubChem (CID 146648747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).