3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole

C84H52N4S — CID 163777436

About 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole

3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole (PubChem CID 163777436) has the molecular formula C84H52N4S and a molecular weight of 1149.43 g/mol. Its IUPAC name is 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
• PubChem CID: 163777436
• Molecular Formula: C84H52N4S
• Molecular Weight: 1149.43 g/mol
• Exact Mass: 1148.39
• IUPAC Name: 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
• SMILES: c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)ccc76)c5)ccc43)c2)c1
• InChI: InChI=1S/C84H52N4S/c1-7-31-75-65(25-1)66-26-2-8-32-76(66)85(75)61-21-14-19-55(46-61)58-38-42-80-72(49-58)67-27-3-9-33-77(67)86(80)62-22-15-20-56(47-62)59-39-43-82-73(50-59)69-29-5-11-35-79(69)88(82)64-24-16-23-63(52-64)87-78-34-10-4-28-68(78)71-48-57(37-41-81(71)87)53-17-13-18-54(45-53)60-40-44-84-74(51-60)70-30-6-12-36-83(70)89-84/h1-52H
• InChIKey: MLRKLEUSMJDALG-UHFFFAOYSA-N
• XLogP: 23.11
• TPSA: 19.72 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.43
LogP ≤ 5	23.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole?

The IUPAC name of 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole (CID 163777436) is 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole.

What is the SMILES notation for 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole?

The canonical SMILES for 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole is c1cc(-c2ccc3sc4ccccc4c3c2)cc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(-c5cccc(-n6c7ccccc7c7cc(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)ccc76)c5)ccc43)c2)c1.

What is the InChIKey of 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole?

The InChIKey is MLRKLEUSMJDALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H52N4S/c1-7-31-75-65(25-1)66-26-2-8-32-76(66)85(75)61-21-14-19-55(46-61)58-38-42-80-72(49-58)67-27-3-9-33-77(67)86(80)62-22-15-20-56(47-62)59-39-43-82-73(50-59)69-29-5-11-35-79(69)88(82)64-24-16-23-63(52-64)87-78-34-10-4-28-68(78)71-48-57(37-41-81(71)87)53-17-13-18-54(45-53)60-40-44-84-74(51-60)70-30-6-12-36-83(70)89-84/h1-52H.

What are the key properties of 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole?

3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole has a molecular weight of 1149.43 g/mol, XLogP of 23.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-9-[3-[3-(3-dibenzothiophen-2-ylphenyl)carbazol-9-yl]phenyl]carbazole is sourced from PubChem (CID 163777436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).