3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

C106H60N10O3 — CID 167175596

About 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile

3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (PubChem CID 167175596) has the molecular formula C106H60N10O3 and a molecular weight of 1521.71 g/mol. Its IUPAC name is 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

Molecular Properties

• Compound Name: 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
• PubChem CID: 167175596
• Molecular Formula: C106H60N10O3
• Molecular Weight: 1521.71 g/mol
• Exact Mass: 1520.48
• IUPAC Name: 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile
• SMILES: N#Cc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5cc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccccc%10c9ccc7n8-c7c(-n8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9c9c%10oc%11ccccc%11c%10ccc98)ccc(C#N)c7C#N)c6)ccc5c4ccc32)c(C#N)c1
• InChI: InChI=1S/C106H60N10O3/c107-61-65-37-47-89(69(55-65)63-109)114-90-49-40-76(111(70-22-6-1-7-23-70)71-24-8-2-9-25-71)58-85(90)100-93(114)52-45-84-81-43-38-67(57-99(81)119-106(84)100)66-21-20-32-75(56-66)113(74-30-14-5-15-31-74)78-42-51-92-87(60-78)102-95(54-46-83-80-34-17-19-36-98(80)118-105(83)102)116(92)103-88(64-110)68(62-108)39-48-96(103)115-91-50-41-77(112(72-26-10-3-11-27-72)73-28-12-4-13-29-73)59-86(91)101-94(115)53-44-82-79-33-16-18-35-97(79)117-104(82)101/h1-60H
• InChIKey: AMNISVOLMQLDEG-UHFFFAOYSA-N
• XLogP: 28.24
• TPSA: 159.09 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.71
LogP ≤ 5	28.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The IUPAC name of 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile (CID 167175596) is 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile.

What is the SMILES notation for 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The canonical SMILES for 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is N#Cc1ccc(-n2c3ccc(N(c4ccccc4)c4ccccc4)cc3c3c4oc5cc(-c6cccc(N(c7ccccc7)c7ccc8c(c7)c7c9oc%10ccccc%10c9ccc7n8-c7c(-n8c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc9c9c%10oc%11ccccc%11c%10ccc98)ccc(C#N)c7C#N)c6)ccc5c4ccc32)c(C#N)c1.

What is the InChIKey of 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

The InChIKey is AMNISVOLMQLDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H60N10O3/c107-61-65-37-47-89(69(55-65)63-109)114-90-49-40-76(111(70-22-6-1-7-23-70)71-24-8-2-9-25-71)58-85(90)100-93(114)52-45-84-81-43-38-67(57-99(81)119-106(84)100)66-21-20-32-75(56-66)113(74-30-14-5-15-31-74)78-42-51-92-87(60-78)102-95(54-46-83-80-34-17-19-36-98(80)118-105(83)102)116(92)103-88(64-110)68(62-108)39-48-96(103)115-91-50-41-77(112(72-26-10-3-11-27-72)73-28-12-4-13-29-73)59-86(91)101-94(115)53-44-82-79-33-16-18-35-97(79)117-104(82)101/h1-60H.

What are the key properties of 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile?

3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile has a molecular weight of 1521.71 g/mol, XLogP of 28.24, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(N-[3-[5-(2,4-dicyanophenyl)-2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-10-yl]phenyl]anilino)-[1]benzofuro[3,2-c]carbazol-5-yl]-4-[2-(N-phenylanilino)-[1]benzofuro[3,2-c]carbazol-5-yl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 167175596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).