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

C51H30FN5S — CID 121276757

IUPAC3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cccc12
InChIInChI=1S/C51H30FN5S/c52-42-22-12-20-38-37-19-11-21-39(47(37)58-48(38)42)50-53-49(31-13-3-1-4-14-31)54-51(55-50)57-44-24-10-8-18-36(44)41-30-33(26-28-46(41)57)32-25-27-45-40(29-32)35-17-7-9-23-43(35)56(45)34-15-5-2-6-16-34/h1-30H
InChIKeyYPRSCXCTZDBSMZ-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.57
Rot. Bonds5

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

3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 121276757) has the molecular formula C51H30FN5S and a molecular weight of 763.90 g/mol. Its IUPAC name is 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
PubChem CID121276757
Molecular FormulaC51H30FN5S
Molecular Weight763.90 g/mol
Exact Mass763.22
IUPAC Name3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cccc12
InChIInChI=1S/C51H30FN5S/c52-42-22-12-20-38-37-19-11-21-39(47(37)58-48(38)42)50-53-49(31-13-3-1-4-14-31)54-51(55-50)57-44-24-10-8-18-36(44)41-30-33(26-28-46(41)57)32-25-27-45-40(29-32)35-17-7-9-23-43(35)56(45)34-15-5-2-6-16-34/h1-30H
InChIKeyYPRSCXCTZDBSMZ-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-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole (CID 121276757) is 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is Fc1cccc2c1sc1c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)n3)cccc12.
What is the InChIKey of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is YPRSCXCTZDBSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30FN5S/c52-42-22-12-20-38-37-19-11-21-39(47(37)58-48(38)42)50-53-49(31-13-3-1-4-14-31)54-51(55-50)57-44-24-10-8-18-36(44)41-30-33(26-28-46(41)57)32-25-27-45-40(29-32)35-17-7-9-23-43(35)56(45)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole?
3-[9-[4-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-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-(6-fluorodibenzothiophen-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).