4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile

C112H88N10 — CID 146544352

About 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile

4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146544352) has the molecular formula C112H88N10 and a molecular weight of 1574.01 g/mol. Its IUPAC name is 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
• PubChem CID: 146544352
• Molecular Formula: C112H88N10
• Molecular Weight: 1574.01 g/mol
• Exact Mass: 1572.72
• IUPAC Name: 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(C#N)cc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6cnc(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cc6-c6ccc(C#N)cc6)c5c4)ccc32)cn1
• InChI: InChI=1S/C112H88N10/c1-109(2,3)73-43-51-97-88(55-73)91-58-76(46-54-98(91)119(97)104-66-115-106(61-86(104)70-39-35-68(64-113)36-40-70)121-99-52-44-74(110(4,5)6)56-89(99)90-57-75(111(7,8)9)45-53-100(90)121)112(10,11)63-72-23-22-34-101-108(72)85-28-16-21-33-96(85)118(101)78-48-49-83-81-26-14-19-31-94(81)120(102(83)59-78)105-67-116-107(62-87(105)71-41-37-69(65-114)38-42-71)122-95-32-20-15-27-82(95)84-50-47-77(60-103(84)122)117-92-29-17-12-24-79(92)80-25-13-18-30-93(80)117/h12-62,66-67H,63H2,1-11H3
• InChIKey: AHGNAHYCWWRIQE-UHFFFAOYSA-N
• XLogP: 28.55
• TPSA: 102.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1574.01
LogP ≤ 5	28.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?

The IUPAC name of 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146544352) is 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

What is the SMILES notation for 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?

The canonical SMILES for 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2ccc(C#N)cc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)Cc4cccc5c4c4ccccc4n5-c4ccc5c6ccccc6n(-c6cnc(-n7c8ccccc8c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc87)cc6-c6ccc(C#N)cc6)c5c4)ccc32)cn1.

What is the InChIKey of 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?

The InChIKey is AHGNAHYCWWRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H88N10/c1-109(2,3)73-43-51-97-88(55-73)91-58-76(46-54-98(91)119(97)104-66-115-106(61-86(104)70-39-35-68(64-113)36-40-70)121-99-52-44-74(110(4,5)6)56-89(99)90-57-75(111(7,8)9)45-53-100(90)121)112(10,11)63-72-23-22-34-101-108(72)85-28-16-21-33-96(85)118(101)78-48-49-83-81-26-14-19-31-94(81)120(102(83)59-78)105-67-116-107(62-87(105)71-41-37-69(65-114)38-42-71)122-95-32-20-15-27-82(95)84-50-47-77(60-103(84)122)117-92-29-17-12-24-79(92)80-25-13-18-30-93(80)117/h12-62,66-67H,63H2,1-11H3.

What are the key properties of 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile?

4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 1574.01 g/mol, XLogP of 28.55, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[3-tert-butyl-6-[1-[9-[9-[6-(2-carbazol-9-ylcarbazol-9-yl)-4-(4-cyanophenyl)-3-pyridinyl]carbazol-2-yl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-2-(3,6-ditert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).