3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C58H32F2N4S2 — CID 121276738

IUPAC3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3cc(-c4cccc5c4sc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C58H32F2N4S2/c59-46-22-10-18-41-39-16-8-20-43(54(39)65-56(41)46)48-32-49(44-21-9-17-40-42-19-11-23-47(60)57(42)66-55(40)44)62-58(61-48)64-51-25-7-4-14-36(51)38-28-26-34(31-53(38)64)33-27-29-52-45(30-33)37-15-5-6-24-50(37)63(52)35-12-2-1-3-13-35/h1-32H
InChIKeyXEFDUIBBTIBBBW-UHFFFAOYSA-N
MW887.05 g/mol
LogP16.69
Rot. Bonds5

About 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276738) has the molecular formula C58H32F2N4S2 and a molecular weight of 887.05 g/mol. Its IUPAC name is 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276738
Molecular FormulaC58H32F2N4S2
Molecular Weight887.05 g/mol
Exact Mass886.20
IUPAC Name3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1cccc2c1sc1c(-c3cc(-c4cccc5c4sc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12
InChIInChI=1S/C58H32F2N4S2/c59-46-22-10-18-41-39-16-8-20-43(54(39)65-56(41)46)48-32-49(44-21-9-17-40-42-19-11-23-47(60)57(42)66-55(40)44)62-58(61-48)64-51-25-7-4-14-36(51)38-28-26-34(31-53(38)64)33-27-29-52-45(30-33)37-15-5-6-24-50(37)63(52)35-12-2-1-3-13-35/h1-32H
InChIKeyXEFDUIBBTIBBBW-UHFFFAOYSA-N
XLogP16.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.05
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276738) is 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1cccc2c1sc1c(-c3cc(-c4cccc5c4sc4c(F)cccc45)nc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)n3)cccc12.
What is the InChIKey of 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is XEFDUIBBTIBBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32F2N4S2/c59-46-22-10-18-41-39-16-8-20-43(54(39)65-56(41)46)48-32-49(44-21-9-17-40-42-19-11-23-47(60)57(42)66-55(40)44)62-58(61-48)64-51-25-7-4-14-36(51)38-28-26-34(31-53(38)64)33-27-29-52-45(30-33)37-15-5-6-24-50(37)63(52)35-12-2-1-3-13-35/h1-32H.
What are the key properties of 3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 887.05 g/mol, XLogP of 16.69, 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-bis(6-fluorodibenzothiophen-4-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).