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

C122H72F12N18O2 — CID 138499751

About 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (PubChem CID 138499751) 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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
• PubChem CID: 138499751
• 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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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(Cc5ccc6oc7c(ccc8c7c7ccccc7n8-c7ccc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-c8cc(C#N)ccc8-n8c9ccccc9c9c%10oc%11ccccc%11c%10ccc98)c7)c6c5)n4)ccc2n3-c2ccc(-c3c(C(F)(F)F)cccc3C(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)70-29-41-98-87(52-70)88-55-73(30-42-99(88)149(98)74-33-35-77(109-92(119(123,124)125)19-14-20-93(109)120(126,127)128)83(56-74)85-49-68(58-135)26-39-100(85)151-102-43-31-71(116-143-62(3)138-63(4)144-116)53-89(102)90-54-72(32-44-103(90)151)117-145-64(5)139-65(6)146-117)118-147-66(7)140-108(148-118)51-67-28-47-107-91(48-67)80-38-45-104-111(114(80)154-107)81-17-8-11-23-96(81)150(104)75-34-36-78(110-94(121(129,130)131)21-15-22-95(110)122(132,133)134)84(57-75)86-50-69(59-136)27-40-101(86)152-97-24-12-9-18-82(97)112-105(152)46-37-79-76-16-10-13-25-106(76)153-113(79)112/h8-50,52-57H,51H2,1-7H3
• InChIKey: HVEVIUQCRCTGHC-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile (CID 138499751) is 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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(Cc5ccc6oc7c(ccc8c7c7ccccc7n8-c7ccc(-c8c(C(F)(F)F)cccc8C(F)(F)F)c(-c8cc(C#N)ccc8-n8c9ccccc9c9c%10oc%11ccccc%11c%10ccc98)c7)c6c5)n4)ccc2n3-c2ccc(-c3c(C(F)(F)F)cccc3C(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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile?

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

What are the key properties of 3-[5-[3-[4-[[5-[3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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-[2,6-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-9-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,6-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 138499751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).