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

C68H50F6N2O2 — CID 139552723

IUPAC12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFC(F)(F)c1ccccc1-c1c(C2CCCCC2)c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C68H50F6N2O2/c69-67(70,71)51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)60(50-28-8-14-30-52(50)68(72,73)74)64(76-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)78-66(48)62(46)76)58(40-21-5-2-6-22-40)63(59)75-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)77-65(47)61(45)75/h7-18,23-40H,1-6,19-22H2
InChIKeyBCMONECPZHQZFJ-UHFFFAOYSA-N
MW1041.15 g/mol
LogP21.15
Rot. Bonds6

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

12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (PubChem CID 139552723) has the molecular formula C68H50F6N2O2 and a molecular weight of 1041.15 g/mol. Its IUPAC name is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.

Molecular Properties

Compound Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
PubChem CID139552723
Molecular FormulaC68H50F6N2O2
Molecular Weight1041.15 g/mol
Exact Mass1040.38
IUPAC Name12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
SMILESFC(F)(F)c1ccccc1-c1c(C2CCCCC2)c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21
InChIInChI=1S/C68H50F6N2O2/c69-67(70,71)51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)60(50-28-8-14-30-52(50)68(72,73)74)64(76-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)78-66(48)62(46)76)58(40-21-5-2-6-22-40)63(59)75-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)77-65(47)61(45)75/h7-18,23-40H,1-6,19-22H2
InChIKeyBCMONECPZHQZFJ-UHFFFAOYSA-N
XLogP21.15
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.15
LogP ≤ 521.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The IUPAC name of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole (CID 139552723) is 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole.
What is the SMILES notation for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The canonical SMILES for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is FC(F)(F)c1ccccc1-c1c(C2CCCCC2)c(-c2ccccc2C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(C2CCCCC2)c1-n1c2ccccc2c2ccc3c4ccccc4oc3c21.
What is the InChIKey of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
The InChIKey is BCMONECPZHQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50F6N2O2/c69-67(70,71)51-29-13-7-27-49(51)59-57(39-19-3-1-4-20-39)60(50-28-8-14-30-52(50)68(72,73)74)64(76-54-32-16-10-24-42(54)46-36-38-48-44-26-12-18-34-56(44)78-66(48)62(46)76)58(40-21-5-2-6-22-40)63(59)75-53-31-15-9-23-41(53)45-35-37-47-43-25-11-17-33-55(43)77-65(47)61(45)75/h7-18,23-40H,1-6,19-22H2.
What are the key properties of 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole?
12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole has a molecular weight of 1041.15 g/mol, XLogP of 21.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2,5-dicyclohexyl-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole is sourced from PubChem (CID 139552723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).