2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

C80H44F6N8 — CID 137368747

About 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile

2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (PubChem CID 137368747) has the molecular formula C80H44F6N8 and a molecular weight of 1231.28 g/mol. Its IUPAC name is 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
• PubChem CID: 137368747
• Molecular Formula: C80H44F6N8
• Molecular Weight: 1231.28 g/mol
• Exact Mass: 1230.36
• IUPAC Name: 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
• SMILES: N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21
• InChI: InChI=1S/C80H44F6N8/c81-79(82,83)46-35-41-69-60(43-46)54-27-11-15-31-65(54)91(69)75-62(45-87)76(93-67-33-17-9-25-52(67)58-39-37-56-50-23-7-13-29-63(50)89(71(56)73(58)93)48-19-3-1-4-20-48)77(92-66-32-16-12-28-55(66)61-44-47(80(84,85)86)36-42-70(61)92)88-78(75)94-68-34-18-10-26-53(68)59-40-38-57-51-24-8-14-30-64(51)90(72(57)74(59)94)49-21-5-2-6-22-49/h1-44H
• InChIKey: YPEOKBRONDMSQY-UHFFFAOYSA-N
• XLogP: 21.57
• TPSA: 66.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1231.28
LogP ≤ 5	21.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?

The IUPAC name of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile (CID 137368747) is 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?

The canonical SMILES for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is N#Cc1c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)nc(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1-n1c2ccccc2c2ccc3c4ccccc4n(-c4ccccc4)c3c21.

What is the InChIKey of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?

The InChIKey is YPEOKBRONDMSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H44F6N8/c81-79(82,83)46-35-41-69-60(43-46)54-27-11-15-31-65(54)91(69)75-62(45-87)76(93-67-33-17-9-25-52(67)58-39-37-56-50-23-7-13-29-63(50)89(71(56)73(58)93)48-19-3-1-4-20-48)77(92-66-32-16-12-28-55(66)61-44-47(80(84,85)86)36-42-70(61)92)88-78(75)94-68-34-18-10-26-53(68)59-40-38-57-51-24-8-14-30-64(51)90(72(57)74(59)94)49-21-5-2-6-22-49/h1-44H.

What are the key properties of 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile?

2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile has a molecular weight of 1231.28 g/mol, XLogP of 21.57, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 137368747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).