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

C102H48F12N6O4 — CID 146520021

IUPAC3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7cc(C#N)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7c(C(F)(F)F)cccc7C(F)(F)F)c6c45)ccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C102H48F12N6O4/c103-99(104,105)69-21-13-22-70(100(106,107)108)89(69)91-77(117-73-25-7-1-15-55(73)61-39-41-84-87(93(61)117)67-20-6-12-30-83(67)121-84)43-51(49-115)44-78(91)118-74-26-8-2-16-56(74)62-40-42-85-88(94(62)118)68-34-32-54(48-86(68)122-85)53-31-33-58-64-36-38-66-60-19-5-11-29-82(60)124-98(66)96(64)120(76(58)47-53)80-46-52(50-116)45-79(92(80)90-71(101(109,110)111)23-14-24-72(90)102(112,113)114)119-75-27-9-3-17-57(75)63-35-37-65-59-18-4-10-28-81(59)123-97(65)95(63)119/h1-48H
InChIKeyKUOFXLLIYDNZHO-UHFFFAOYSA-N
MW1649.52 g/mol
LogP30.49
Rot. Bonds7

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

3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (PubChem CID 146520021) has the molecular formula C102H48F12N6O4 and a molecular weight of 1649.52 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
PubChem CID146520021
Molecular FormulaC102H48F12N6O4
Molecular Weight1649.52 g/mol
Exact Mass1648.35
IUPAC Name3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7cc(C#N)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7c(C(F)(F)F)cccc7C(F)(F)F)c6c45)ccc3c3ccc4c5ccccc5oc4c32)c1
InChIInChI=1S/C102H48F12N6O4/c103-99(104,105)69-21-13-22-70(100(106,107)108)89(69)91-77(117-73-25-7-1-15-55(73)61-39-41-84-87(93(61)117)67-20-6-12-30-83(67)121-84)43-51(49-115)44-78(91)118-74-26-8-2-16-56(74)62-40-42-85-88(94(62)118)68-34-32-54(48-86(68)122-85)53-31-33-58-64-36-38-66-60-19-5-11-29-82(60)124-98(66)96(64)120(76(58)47-53)80-46-52(50-116)45-79(92(80)90-71(101(109,110)111)23-14-24-72(90)102(112,113)114)119-75-27-9-3-17-57(75)63-35-37-65-59-18-4-10-28-81(59)123-97(65)95(63)119/h1-48H
InChIKeyKUOFXLLIYDNZHO-UHFFFAOYSA-N
XLogP30.49
TPSA119.86 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001649.52
LogP ≤ 530.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile (CID 146520021) is 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-c2c(C(F)(F)F)cccc2C(F)(F)F)c(-n2c3cc(-c4ccc5c(c4)oc4ccc6c7ccccc7n(-c7cc(C#N)cc(-n8c9ccccc9c9ccc%10oc%11ccccc%11c%10c98)c7-c7c(C(F)(F)F)cccc7C(F)(F)F)c6c45)ccc3c3ccc4c5ccccc5oc4c32)c1.
What is the InChIKey of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
The InChIKey is KUOFXLLIYDNZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H48F12N6O4/c103-99(104,105)69-21-13-22-70(100(106,107)108)89(69)91-77(117-73-25-7-1-15-55(73)61-39-41-84-87(93(61)117)67-20-6-12-30-83(67)121-84)43-51(49-115)44-78(91)118-74-26-8-2-16-56(74)62-40-42-85-88(94(62)118)68-34-32-54(48-86(68)122-85)53-31-33-58-64-36-38-66-60-19-5-11-29-82(60)124-98(66)96(64)120(76(58)47-53)80-46-52(50-116)45-79(92(80)90-71(101(109,110)111)23-14-24-72(90)102(112,113)114)119-75-27-9-3-17-57(75)63-35-37-65-59-18-4-10-28-81(59)123-97(65)95(63)119/h1-48H.
What are the key properties of 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile?
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile has a molecular weight of 1649.52 g/mol, XLogP of 30.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile is sourced from PubChem (CID 146520021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).