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

C58H38F2N2O2 — CID 149390644

IUPAC12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)c(CC)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C58H38F2N2O2/c1-3-37-51(33-21-25-35(59)26-22-33)56(62-48-18-10-6-14-40(48)44-30-32-46-42-16-8-12-20-50(42)64-58(46)55(44)62)52(34-23-27-36(60)28-24-34)38(4-2)53(37)61-47-17-9-5-13-39(47)43-29-31-45-41-15-7-11-19-49(41)63-57(45)54(43)61/h5-32H,3-4H2,1-2H3
InChIKeyYNLQSYYDLBZITE-UHFFFAOYSA-N
MW832.95 g/mol
LogP16.42
Rot. Bonds6

About 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

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 (PubChem CID 149390644) has the molecular formula C58H38F2N2O2 and a molecular weight of 832.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID149390644
Molecular FormulaC58H38F2N2O2
Molecular Weight832.95 g/mol
Exact Mass832.29
IUPAC Name12-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-2,6-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESCCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)c(CC)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C58H38F2N2O2/c1-3-37-51(33-21-25-35(59)26-22-33)56(62-48-18-10-6-14-40(48)44-30-32-46-42-16-8-12-20-50(42)64-58(46)55(44)62)52(34-23-27-36(60)28-24-34)38(4-2)53(37)61-47-17-9-5-13-39(47)43-29-31-45-41-15-7-11-19-49(41)63-57(45)54(43)61/h5-32H,3-4H2,1-2H3
InChIKeyYNLQSYYDLBZITE-UHFFFAOYSA-N
XLogP16.42
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.95
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-naphthalen-1-yl-3-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 157381564
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
12-phenyl-3-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-a]carbazole
CID 166832183
12-[4-(2-chloro-6-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 150624614
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
5-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-3-cyanophenyl]-2-carbazol-9-ylbenzonitrile
CID 129290853
2,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4,6-ditert-butylbenzene-1,3-dicarbonitrile
CID 139550395
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
12-[3-ethyl-2,4-bis(4-fluorophenyl)-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139553182
12-[4-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166510159

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(-c2ccc(F)cc2)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2ccc(F)cc2)c(CC)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 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?
The InChIKey is YNLQSYYDLBZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38F2N2O2/c1-3-37-51(33-21-25-35(59)26-22-33)56(62-48-18-10-6-14-40(48)44-30-32-46-42-16-8-12-20-50(42)64-58(46)55(44)62)52(34-23-27-36(60)28-24-34)38(4-2)53(37)61-47-17-9-5-13-39(47)43-29-31-45-41-15-7-11-19-49(41)63-57(45)54(43)61/h5-32H,3-4H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 832.95 g/mol, XLogP of 16.42, 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-diethyl-3,5-bis(4-fluorophenyl)phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 149390644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).