12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

C66H50F2N2O2 — CID 139552930

IUPAC12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFc1ccccc1-c1c(C2CCCCC2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C66H50F2N2O2/c67-51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)63(69-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)71-65(47)61(45)69)58(40-21-5-2-6-22-40)60(50-28-8-14-30-52(50)68)64(59)70-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)72-66(48)62(46)70/h7-18,23-40H,1-6,19-22H2
InChIKeyAOARSXMEULWVJS-UHFFFAOYSA-N
MW941.13 g/mol
LogP19.39
Rot. Bonds6

About 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole

12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139552930) has the molecular formula C66H50F2N2O2 and a molecular weight of 941.13 g/mol. Its IUPAC name is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID139552930
Molecular FormulaC66H50F2N2O2
Molecular Weight941.13 g/mol
Exact Mass940.38
IUPAC Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFc1ccccc1-c1c(C2CCCCC2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C66H50F2N2O2/c67-51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)63(69-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)71-65(47)61(45)69)58(40-21-5-2-6-22-40)60(50-28-8-14-30-52(50)68)64(59)70-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)72-66(48)62(46)70/h7-18,23-40H,1-6,19-22H2
InChIKeyAOARSXMEULWVJS-UHFFFAOYSA-N
XLogP19.39
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.13
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole 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

12-[4-([1]benzofuro[3,2-a]carbazol-12-yl)-2,6-bis(2-fluorophenyl)-3,5-dimethylphenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552942
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 149390644
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-ditert-butyl-3,5-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 139552710
8-cyclohexyl-12-methyl-[1]benzofuro[2,3-a]carbazole
CID 169027648
5-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-di(carbazol-9-yl)-2-(4-cyanophenyl)benzene-1,3-dicarbonitrile
CID 146562458
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-bis(4-fluorophenyl)-2-propan-2-ylphenyl]-[1]benzofuro[2,3-a]carbazole
CID 146509851
12-(4-bromophenyl)-[1]benzofuro[2,3-a]carbazole
CID 129291278
12-[6,10-bis([1]benzofuro[2,3-a]carbazol-12-yl)triphenylen-2-yl]-[1]benzofuro[2,3-a]carbazole
CID 122548582
12-(2-dibenzofuran-2-ylphenyl)-[1]benzofuro[2,3-a]carbazole
CID 171612094
2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-3-isocyanophenyl]benzonitrile
CID 140794021
12-pyridin-4-yl-[1]benzofuro[2,3-a]carbazole
CID 118502561
2,3,5-tri(carbazol-9-yl)-6-(2-naphthalen-1-yl-[1]benzofuro[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166567049

Frequently Asked Questions

What is the IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole (CID 139552930) is 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is Fc1ccccc1-c1c(C2CCCCC2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is AOARSXMEULWVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H50F2N2O2/c67-51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)63(69-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)71-65(47)61(45)69)58(40-21-5-2-6-22-40)60(50-28-8-14-30-52(50)68)64(59)70-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)72-66(48)62(46)70/h7-18,23-40H,1-6,19-22H2.
What are the key properties of 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 941.13 g/mol, XLogP of 19.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-dicyclohexyl-3,5-bis(2-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139552930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).