3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

C122H72F12N18O2 — CID 138499324

About 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile

3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 138499324) has the molecular formula C122H72F12N18O2 and a molecular weight of 2050.02 g/mol. Its IUPAC name is 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
• PubChem CID: 138499324
• Molecular Formula: C122H72F12N18O2
• Molecular Weight: 2050.02 g/mol
• Exact Mass: 2048.59
• IUPAC Name: 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
• SMILES: Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(Cc5cccc6oc7c(ccc8c7c7ccccc7n8-c7ccc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)c(-c8cc(C#N)ccc8-n8c9ccccc9c9c%10oc%11ccccc%11c%10ccc98)c7)c56)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1
• InChI: InChI=1S/C122H72F12N18O2/c1-60-137-61(2)142-115(141-60)70-25-41-99-91(49-70)92-52-73(26-42-100(92)149(99)76-31-35-78(80-33-29-74(119(123,124)125)54-95(80)121(129,130)131)87(56-76)89-47-67(58-135)23-39-101(89)151-103-43-27-71(116-143-62(3)138-63(4)144-116)50-93(103)94-51-72(28-44-104(94)151)117-145-64(5)139-65(6)146-117)118-147-66(7)140-109(148-118)53-69-15-14-22-108-110(69)86-38-46-105-111(114(86)154-108)84-17-8-11-19-97(84)150(105)77-32-36-79(81-34-30-75(120(126,127)128)55-96(81)122(132,133)134)88(57-77)90-48-68(59-136)24-40-102(90)152-98-20-12-9-18-85(98)112-106(152)45-37-83-82-16-10-13-21-107(82)153-113(83)112/h8-52,54-57H,53H2,1-7H3
• InChIKey: UUCTYSPHXOFRRR-UHFFFAOYSA-N
• XLogP: 31.52
• TPSA: 248.26 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2050.02
LogP ≤ 5	31.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?

The IUPAC name of 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (CID 138499324) is 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile.

What is the SMILES notation for 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?

The canonical SMILES for 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(Cc5cccc6oc7c(ccc8c7c7ccccc7n8-c7ccc(-c8ccc(C(F)(F)F)cc8C(F)(F)F)c(-c8cc(C#N)ccc8-n8c9ccccc9c9c%10oc%11ccccc%11c%10ccc98)c7)c56)n4)ccc2n3-c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1.

What is the InChIKey of 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?

The InChIKey is UUCTYSPHXOFRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H72F12N18O2/c1-60-137-61(2)142-115(141-60)70-25-41-99-91(49-70)92-52-73(26-42-100(92)149(99)76-31-35-78(80-33-29-74(119(123,124)125)54-95(80)121(129,130)131)87(56-76)89-47-67(58-135)23-39-101(89)151-103-43-27-71(116-143-62(3)138-63(4)144-116)50-93(103)94-51-72(28-44-104(94)151)117-145-64(5)139-65(6)146-117)118-147-66(7)140-109(148-118)53-69-15-14-22-108-110(69)86-38-46-105-111(114(86)154-108)84-17-8-11-19-97(84)150(105)77-32-36-79(81-34-30-75(120(126,127)128)55-96(81)122(132,133)134)88(57-77)90-48-68(59-136)24-40-102(90)152-98-20-12-9-18-85(98)112-106(152)45-37-83-82-16-10-13-21-107(82)153-113(83)112/h8-52,54-57H,53H2,1-7H3.

What are the key properties of 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?

3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile has a molecular weight of 2050.02 g/mol, XLogP of 31.52, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138499324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).