2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile

C70H34F3N11 — CID 138554542

About 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile

2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile (PubChem CID 138554542) has the molecular formula C70H34F3N11 and a molecular weight of 1086.11 g/mol. Its IUPAC name is 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

Molecular Properties

• Compound Name: 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
• PubChem CID: 138554542
• Molecular Formula: C70H34F3N11
• Molecular Weight: 1086.11 g/mol
• Exact Mass: 1085.30
• IUPAC Name: 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
• SMILES: N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1
• InChI: InChI=1S/C70H34F3N11/c71-70(72,73)59-23-22-52(83-60-17-9-7-15-53(60)56-31-45(19-24-62(56)83)65-48(37-76)27-41(35-74)28-49(65)38-77)34-55(59)58-33-47(69-81-67(43-11-3-1-4-12-43)80-68(82-69)44-13-5-2-6-14-44)21-26-64(58)84-61-18-10-8-16-54(61)57-32-46(20-25-63(57)84)66-50(39-78)29-42(36-75)30-51(66)40-79/h1-34H
• InChIKey: UNIZYMMTEUTKDN-UHFFFAOYSA-N
• XLogP: 16.32
• TPSA: 191.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.11
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The IUPAC name of 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile (CID 138554542) is 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile.

What is the SMILES notation for 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The canonical SMILES for 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile is N#Cc1cc(C#N)c(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C(F)(F)F)c(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc(-c5c(C#N)cc(C#N)cc5C#N)ccc43)c2)c(C#N)c1.

What is the InChIKey of 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

The InChIKey is UNIZYMMTEUTKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H34F3N11/c71-70(72,73)59-23-22-52(83-60-17-9-7-15-53(60)56-31-45(19-24-62(56)83)65-48(37-76)27-41(35-74)28-49(65)38-77)34-55(59)58-33-47(69-81-67(43-11-3-1-4-12-43)80-68(82-69)44-13-5-2-6-14-44)21-26-64(58)84-61-18-10-8-16-54(61)57-32-46(20-25-63(57)84)66-50(39-78)29-42(36-75)30-51(66)40-79/h1-34H.

What are the key properties of 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile?

2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile has a molecular weight of 1086.11 g/mol, XLogP of 16.32, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]-4-(trifluoromethyl)phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile is sourced from PubChem (CID 138554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).