3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole

C66H45ClN4 — CID 134378043

IUPAC3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESCc1cc(-c2ccccn2)ccc1-c1cc2c(cc1-c1cc(Cl)cc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccc(-c4ccccn4)cc3C)c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C66H45ClN4/c1-42-33-44(61-23-13-15-31-68-61)27-29-51(42)57-40-65-59(53-21-9-11-25-63(53)70(65)49-17-5-3-6-18-49)38-55(57)46-35-47(37-48(67)36-46)56-39-60-54-22-10-12-26-64(54)71(50-19-7-4-8-20-50)66(60)41-58(56)52-30-28-45(34-43(52)2)62-24-14-16-32-69-62/h3-41H,1-2H3
InChIKeyOEWSLBAYPXXDFD-UHFFFAOYSA-N
MW929.57 g/mol
LogP17.94
Rot. Bonds8

About 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole

3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole (PubChem CID 134378043) has the molecular formula C66H45ClN4 and a molecular weight of 929.57 g/mol. Its IUPAC name is 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole
PubChem CID134378043
Molecular FormulaC66H45ClN4
Molecular Weight929.57 g/mol
Exact Mass928.33
IUPAC Name3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole
SMILESCc1cc(-c2ccccn2)ccc1-c1cc2c(cc1-c1cc(Cl)cc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccc(-c4ccccn4)cc3C)c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C66H45ClN4/c1-42-33-44(61-23-13-15-31-68-61)27-29-51(42)57-40-65-59(53-21-9-11-25-63(53)70(65)49-17-5-3-6-18-49)38-55(57)46-35-47(37-48(67)36-46)56-39-60-54-22-10-12-26-64(54)71(50-19-7-4-8-20-50)66(60)41-58(56)52-30-28-45(34-43(52)2)62-24-14-16-32-69-62/h3-41H,1-2H3
InChIKeyOEWSLBAYPXXDFD-UHFFFAOYSA-N
XLogP17.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500929.57
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole?
The IUPAC name of 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole (CID 134378043) is 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole.
What is the SMILES notation for 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole?
The canonical SMILES for 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole is Cc1cc(-c2ccccn2)ccc1-c1cc2c(cc1-c1cc(Cl)cc(-c3cc4c5ccccc5n(-c5ccccc5)c4cc3-c3ccc(-c4ccccn4)cc3C)c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole?
The InChIKey is OEWSLBAYPXXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45ClN4/c1-42-33-44(61-23-13-15-31-68-61)27-29-51(42)57-40-65-59(53-21-9-11-25-63(53)70(65)49-17-5-3-6-18-49)38-55(57)46-35-47(37-48(67)36-46)56-39-60-54-22-10-12-26-64(54)71(50-19-7-4-8-20-50)66(60)41-58(56)52-30-28-45(34-43(52)2)62-24-14-16-32-69-62/h3-41H,1-2H3.
What are the key properties of 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole?
3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole has a molecular weight of 929.57 g/mol, XLogP of 17.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-5-[2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]-2-(2-methyl-4-pyridin-2-ylphenyl)-9-phenylcarbazole is sourced from PubChem (CID 134378043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).