1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole

C59H39N3 — CID 118149343

IUPAC1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C59H39N3/c1-4-19-40(20-5-1)43-38-53(41-21-6-2-7-22-41)60-54(39-43)46-26-11-10-25-45(46)42-35-36-58-52(37-42)49-29-14-17-34-57(49)62(58)56-33-16-13-28-48(56)51-31-18-30-50-47-27-12-15-32-55(47)61(59(50)51)44-23-8-3-9-24-44/h1-39H
InChIKeyWJWDEHPEPYNZAL-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.61
Rot. Bonds7

About 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole

1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 118149343) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
PubChem CID118149343
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C59H39N3/c1-4-19-40(20-5-1)43-38-53(41-21-6-2-7-22-41)60-54(39-43)46-26-11-10-25-45(46)42-35-36-58-52(37-42)49-29-14-17-34-57(49)62(58)56-33-16-13-28-48(56)51-31-18-30-50-47-27-12-15-32-55(47)61(59(50)51)44-23-8-3-9-24-44/h1-39H
InChIKeyWJWDEHPEPYNZAL-UHFFFAOYSA-N
XLogP15.61
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.98
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (CID 118149343) is 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3-c3cccc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The InChIKey is WJWDEHPEPYNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-4-19-40(20-5-1)43-38-53(41-21-6-2-7-22-41)60-54(39-43)46-26-11-10-25-45(46)42-35-36-58-52(37-42)49-29-14-17-34-57(49)62(58)56-33-16-13-28-48(56)51-31-18-30-50-47-27-12-15-32-55(47)61(59(50)51)44-23-8-3-9-24-44/h1-39H.
What are the key properties of 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole has a molecular weight of 789.98 g/mol, XLogP of 15.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118149343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).