7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

C51H32N4O — CID 163666964

IUPAC7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-12-21-37(31-35)49-52-50(38-22-13-20-36(32-38)34-17-6-2-7-18-34)54-51(53-49)43-26-14-28-45-46(43)42-30-29-41-40-25-10-11-27-44(40)55(47(41)48(42)56-45)39-23-8-3-9-24-39/h1-32H
InChIKeyNXJQEUUAIJSNLM-UHFFFAOYSA-N
MW716.84 g/mol
LogP13.20
Rot. Bonds6

About 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole

7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (PubChem CID 163666964) has the molecular formula C51H32N4O and a molecular weight of 716.84 g/mol. Its IUPAC name is 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
PubChem CID163666964
Molecular FormulaC51H32N4O
Molecular Weight716.84 g/mol
Exact Mass716.26
IUPAC Name7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)n3)c2)cc1
InChIInChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-12-21-37(31-35)49-52-50(38-22-13-20-36(32-38)34-17-6-2-7-18-34)54-51(53-49)43-26-14-28-45-46(43)42-30-29-41-40-25-10-11-27-44(40)55(47(41)48(42)56-45)39-23-8-3-9-24-39/h1-32H
InChIKeyNXJQEUUAIJSNLM-UHFFFAOYSA-N
XLogP13.20
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.84
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole (CID 163666964) is 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6c(ccc7c8ccccc8n(-c8ccccc8)c76)c45)n3)c2)cc1.
What is the InChIKey of 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
The InChIKey is NXJQEUUAIJSNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4O/c1-4-15-33(16-5-1)35-19-12-21-37(31-35)49-52-50(38-22-13-20-36(32-38)34-17-6-2-7-18-34)54-51(53-49)43-26-14-28-45-46(43)42-30-29-41-40-25-10-11-27-44(40)55(47(41)48(42)56-45)39-23-8-3-9-24-39/h1-32H.
What are the key properties of 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole?
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole has a molecular weight of 716.84 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 163666964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).