6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile

C144H78N14O4 — CID 163651110

About 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile

6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile (PubChem CID 163651110) has the molecular formula C144H78N14O4 and a molecular weight of 2068.30 g/mol. Its IUPAC name is 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile.

Molecular Properties

• Compound Name: 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile
• PubChem CID: 163651110
• Molecular Formula: C144H78N14O4
• Molecular Weight: 2068.30 g/mol
• Exact Mass: 2066.63
• IUPAC Name: 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile
• SMILES: N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2C(=O)N(c2cccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccccc7C#N)ccc5n6-c5c(-c6cccc7c6C(=O)N(c6ccccc6-c6ccccc6)C7O)ccc(-n6c7ccc(-c8ccccc8C#N)cc7c7cc(-c8ccccc8C#N)ccc76)c5C#N)c4C#N)c2-c2ccccc2)C3=O)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1C#N
• InChI: InChI=1S/C144H78N14O4/c145-77-93-31-7-12-36-98(93)87-55-63-127-115(71-87)106-42-18-21-52-125(106)153(127)133-69-61-111(139(122(133)83-151)155-126-53-22-19-43-107(126)116-72-88(58-66-130(116)155)99-37-13-8-32-94(99)78-146)110-47-25-50-114-138(110)144(162)158(142(114)160)135-54-26-48-108(136(135)86-29-5-2-6-30-86)105-45-23-44-103(121(105)82-150)92-60-68-132-120(76-92)119-75-91(102-40-16-11-35-97(102)81-149)59-67-131(119)156(132)140-112(109-46-24-49-113-137(109)143(161)157(141(113)159)124-51-20-17-41-104(124)85-27-3-1-4-28-85)62-70-134(123(140)84-152)154-128-64-56-89(100-38-14-9-33-95(100)79-147)73-117(128)118-74-90(57-65-129(118)154)101-39-15-10-34-96(101)80-148/h1-76,141,159H
• InChIKey: IMHUQCIUYSCHJZ-UHFFFAOYSA-N
• XLogP: 32.84
• TPSA: 287.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2068.30
LogP ≤ 5	32.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile?

The IUPAC name of 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile (CID 163651110) is 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile.

What is the SMILES notation for 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile?

The canonical SMILES for 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cccc3c2C(=O)N(c2cccc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccccc7C#N)ccc5n6-c5c(-c6cccc7c6C(=O)N(c6ccccc6-c6ccccc6)C7O)ccc(-n6c7ccc(-c8ccccc8C#N)cc7c7cc(-c8ccccc8C#N)ccc76)c5C#N)c4C#N)c2-c2ccccc2)C3=O)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1C#N.

What is the InChIKey of 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile?

The InChIKey is IMHUQCIUYSCHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H78N14O4/c145-77-93-31-7-12-36-98(93)87-55-63-127-115(71-87)106-42-18-21-52-125(106)153(127)133-69-61-111(139(122(133)83-151)155-126-53-22-19-43-107(126)116-72-88(58-66-130(116)155)99-37-13-8-32-94(99)78-146)110-47-25-50-114-138(110)144(162)158(142(114)160)135-54-26-48-108(136(135)86-29-5-2-6-30-86)105-45-23-44-103(121(105)82-150)92-60-68-132-120(76-92)119-75-91(102-40-16-11-35-97(102)81-149)59-67-131(119)156(132)140-112(109-46-24-49-113-137(109)143(161)157(141(113)159)124-51-20-17-41-104(124)85-27-3-1-4-28-85)62-70-134(123(140)84-152)154-128-64-56-89(100-38-14-9-33-95(100)79-147)73-117(128)118-74-90(57-65-129(118)154)101-39-15-10-34-96(101)80-148/h1-76,141,159H.

What are the key properties of 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile?

6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile has a molecular weight of 2068.30 g/mol, XLogP of 32.84, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-[3-[2-cyano-3-[3-[4-[3-cyano-2,4-bis[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-1,3-dioxoisoindol-2-yl]-2-phenylphenyl]phenyl]-6-(2-cyanophenyl)carbazol-9-yl]-3-[1-hydroxy-3-oxo-2-(2-phenylphenyl)-1H-isoindol-4-yl]benzonitrile is sourced from PubChem (CID 163651110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).