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

C45H27FN4S — CID 164736788

IUPAC4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C45H27FN4S/c46-31-26-29(33-19-12-24-40-42(33)35-18-8-10-23-39(35)51-40)25-30(27-31)44-47-43(28-13-3-1-4-14-28)48-45(49-44)36-20-11-22-38-41(36)34-17-7-9-21-37(34)50(38)32-15-5-2-6-16-32/h1-27H
InChIKeyPRSUVLLEWXVHDU-UHFFFAOYSA-N
MW674.80 g/mol
LogP12.14
Rot. Bonds5

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

4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 164736788) has the molecular formula C45H27FN4S and a molecular weight of 674.80 g/mol. Its IUPAC name is 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID164736788
Molecular FormulaC45H27FN4S
Molecular Weight674.80 g/mol
Exact Mass674.19
IUPAC Name4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESFc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C45H27FN4S/c46-31-26-29(33-19-12-24-40-42(33)35-18-8-10-23-39(35)51-40)25-30(27-31)44-47-43(28-13-3-1-4-14-28)48-45(49-44)36-20-11-22-38-41(36)34-17-7-9-21-37(34)50(38)32-15-5-2-6-16-32/h1-27H
InChIKeyPRSUVLLEWXVHDU-UHFFFAOYSA-N
XLogP12.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.80
LogP ≤ 512.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 164736788) is 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is Fc1cc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is PRSUVLLEWXVHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27FN4S/c46-31-26-29(33-19-12-24-40-42(33)35-18-8-10-23-39(35)51-40)25-30(27-31)44-47-43(28-13-3-1-4-14-28)48-45(49-44)36-20-11-22-38-41(36)34-17-7-9-21-37(34)50(38)32-15-5-2-6-16-32/h1-27H.
What are the key properties of 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole?
4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 674.80 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-dibenzothiophen-1-yl-5-fluorophenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 164736788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).