2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

C114H78N8 — CID 154966870

About 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile

2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (PubChem CID 154966870) has the molecular formula C114H78N8 and a molecular weight of 1559.93 g/mol. Its IUPAC name is 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

Molecular Properties

• Compound Name: 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
• PubChem CID: 154966870
• Molecular Formula: C114H78N8
• Molecular Weight: 1559.93 g/mol
• Exact Mass: 1558.63
• IUPAC Name: 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
• SMILES: Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(-c8cccc(-c9ccc%10c(c9)c9cc(-c%11ccccc%11C)ccc9n%10-c9cc(-c%10ccncc%10)cc(-n%10c%11ccc(-c%12ccccc%12C)cc%11c%11cc(-c%12ccccc%12C)ccc%11%10)c9C#N)c8C)c7)cc65)c4C#N)c3c2)c1
• InChI: InChI=1S/C114H78N8/c1-69-19-17-23-77(53-69)78-33-39-95-93-27-13-15-31-103(93)121(109(95)61-78)113-65-86(76-47-51-118-52-48-76)66-114(102(113)68-116)122-104-32-16-14-28-94(104)96-40-34-79(62-110(96)122)84-54-70(2)55-87(56-84)92-30-18-29-91(74(92)6)83-38-44-108-100(60-83)99-59-82(90-26-12-9-22-73(90)5)37-43-107(99)120(108)112-64-85(75-45-49-117-50-46-75)63-111(101(112)67-115)119-105-41-35-80(88-24-10-7-20-71(88)3)57-97(105)98-58-81(36-42-106(98)119)89-25-11-8-21-72(89)4/h7-66H,1-6H3
• InChIKey: LXTBQWHWLRNXDV-UHFFFAOYSA-N
• XLogP: 29.46
• TPSA: 93.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1559.93
LogP ≤ 5	29.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The IUPAC name of 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile (CID 154966870) is 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile.

What is the SMILES notation for 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The canonical SMILES for 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is Cc1cccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccncc5)cc(-n5c6ccccc6c6ccc(-c7cc(C)cc(-c8cccc(-c9ccc%10c(c9)c9cc(-c%11ccccc%11C)ccc9n%10-c9cc(-c%10ccncc%10)cc(-n%10c%11ccc(-c%12ccccc%12C)cc%11c%11cc(-c%12ccccc%12C)ccc%11%10)c9C#N)c8C)c7)cc65)c4C#N)c3c2)c1.

What is the InChIKey of 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

The InChIKey is LXTBQWHWLRNXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C114H78N8/c1-69-19-17-23-77(53-69)78-33-39-95-93-27-13-15-31-103(93)121(109(95)61-78)113-65-86(76-47-51-118-52-48-76)66-114(102(113)68-116)122-104-32-16-14-28-94(104)96-40-34-79(62-110(96)122)84-54-70(2)55-87(56-84)92-30-18-29-91(74(92)6)83-38-44-108-100(60-83)99-59-82(90-26-12-9-22-73(90)5)37-43-107(99)120(108)112-64-85(75-45-49-117-50-46-75)63-111(101(112)67-115)119-105-41-35-80(88-24-10-7-20-71(88)3)57-97(105)98-58-81(36-42-106(98)119)89-25-11-8-21-72(89)4/h7-66H,1-6H3.

What are the key properties of 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile?

2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile has a molecular weight of 1559.93 g/mol, XLogP of 29.46, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 154966870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).