3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C58H32F2N4O2 — CID 121276715

IUPAC3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C58H32F2N4O2/c59-37-18-24-56-46(30-37)44-27-35(16-22-54(44)65-56)48-32-49(36-17-23-55-45(28-36)47-31-38(60)19-25-57(47)66-55)62-58(61-48)64-51-13-7-4-10-40(51)42-20-14-34(29-53(42)64)33-15-21-52-43(26-33)41-11-5-6-12-50(41)63(52)39-8-2-1-3-9-39/h1-32H
InChIKeyUQLXZZDKVFMCCT-UHFFFAOYSA-N
MW854.92 g/mol
LogP15.75
Rot. Bonds5

About 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 121276715) has the molecular formula C58H32F2N4O2 and a molecular weight of 854.92 g/mol. Its IUPAC name is 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID121276715
Molecular FormulaC58H32F2N4O2
Molecular Weight854.92 g/mol
Exact Mass854.25
IUPAC Name3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1
InChIInChI=1S/C58H32F2N4O2/c59-37-18-24-56-46(30-37)44-27-35(16-22-54(44)65-56)48-32-49(36-17-23-55-45(28-36)47-31-38(60)19-25-57(47)66-55)62-58(61-48)64-51-13-7-4-10-40(51)42-20-14-34(29-53(42)64)33-15-21-52-43(26-33)41-11-5-6-12-50(41)63(52)39-8-2-1-3-9-39/h1-32H
InChIKeyUQLXZZDKVFMCCT-UHFFFAOYSA-N
XLogP15.75
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.92
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[9-[4,6-bis(8-fluorodibenzofuran-2-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

Related Compounds

9-(8-Fluorodibenzofuran-2-yl)-3-[9-(8-fluorodibenzofuran-2-yl)carbazol-3-yl]carbazole
CID 58511053
3-Dibenzofuran-2-yl-12-[4-(4-fluorophenyl)quinazolin-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 67701944
3-[9-Dibenzofuran-2-yl-6-(6-fluoro-9-phenylcarbazol-3-yl)carbazol-3-yl]-6-fluoro-9-phenylcarbazole
CID 68112373
2,3-Bis[4-[8-(1-benzofuran-2-yl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]phenyl]butanedinitrile
CID 69157353
2,3-Bis[4-[8-(1-benzofuran-2-yl)imidazo[4,5-c]quinolin-1-yl]-2-fluorophenyl]butanedinitrile
CID 69159156
7-(4-Dibenzofuran-4-ylquinazolin-2-yl)-10-fluorobenzo[c]carbazole
CID 71109047
12-[4-(4-Dibenzofuran-4-ylphenyl)quinazolin-2-yl]-5-(4-fluorophenyl)indolo[3,2-c]carbazole
CID 71291224
9-[8-(6-Carbazol-9-yl-2-pyridinyl)dibenzofuran-2-yl]-3,6-difluorocarbazole
CID 89433789
9-[6-(8-Carbazol-9-yldibenzofuran-2-yl)-2-pyridinyl]-3,6-difluorocarbazole
CID 89433790
7-[4-[4-(4-Fluorophenyl)-6-phenylpyrimidin-2-yl]phenyl]-10-naphtho[2,1-b][1]benzofuran-5-ylbenzo[c]carbazole
CID 89590550
4-[4-[4-(7-Fluorodibenzofuran-2-yl)phenyl]phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 89991446
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 89991528

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 121276715) is 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1ccc2oc3ccc(-c4cc(-c5ccc6oc7ccc(F)cc7c6c5)nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc65)n4)cc3c2c1.
What is the InChIKey of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is UQLXZZDKVFMCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H32F2N4O2/c59-37-18-24-56-46(30-37)44-27-35(16-22-54(44)65-56)48-32-49(36-17-23-55-45(28-36)47-31-38(60)19-25-57(47)66-55)62-58(61-48)64-51-13-7-4-10-40(51)42-20-14-34(29-53(42)64)33-15-21-52-43(26-33)41-11-5-6-12-50(41)63(52)39-8-2-1-3-9-39/h1-32H.
What are the key properties of 3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4,6-bis(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 854.92 g/mol, XLogP of 15.75, 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(8-fluorodibenzofuran-2-yl)pyrimidin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 121276715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).