3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C51H30FN5S — CID 121276722

IUPAC3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C51H30FN5S/c52-35-22-26-48-42(30-35)41-28-34(21-25-47(41)58-48)50-53-49(31-11-3-1-4-12-31)54-51(55-50)57-44-18-10-7-15-37(44)39-23-19-33(29-46(39)57)32-20-24-45-40(27-32)38-16-8-9-17-43(38)56(45)36-13-5-2-6-14-36/h1-30H
InChIKeyAMCJMLCDTAOIOV-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.57
Rot. Bonds5

About 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276722) has the molecular formula C51H30FN5S and a molecular weight of 763.90 g/mol. Its IUPAC name is 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276722
Molecular FormulaC51H30FN5S
Molecular Weight763.90 g/mol
Exact Mass763.22
IUPAC Name3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C51H30FN5S/c52-35-22-26-48-42(30-35)41-28-34(21-25-47(41)58-48)50-53-49(31-11-3-1-4-12-31)54-51(55-50)57-44-18-10-7-15-37(44)39-23-19-33(29-46(39)57)32-20-24-45-40(27-32)38-16-8-9-17-43(38)56(45)36-13-5-2-6-14-36/h1-30H
InChIKeyAMCJMLCDTAOIOV-UHFFFAOYSA-N
XLogP13.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276722) is 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1ccc2sc3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is AMCJMLCDTAOIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5S/c52-35-22-26-48-42(30-35)41-28-34(21-25-47(41)58-48)50-53-49(31-11-3-1-4-12-31)54-51(55-50)57-44-18-10-7-15-37(44)39-23-19-33(29-46(39)57)32-20-24-45-40(27-32)38-16-8-9-17-43(38)56(45)36-13-5-2-6-14-36/h1-30H.
What are the key properties of 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 763.90 g/mol, XLogP of 13.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(8-fluorodibenzothiophen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).