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

C59H39N3 — CID 118149315

IUPAC1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C59H39N3/c1-4-17-41(18-5-1)54-38-44(39-55(60-54)42-19-6-2-7-20-42)48-24-11-10-23-47(48)43-33-36-58-53(37-43)51-26-13-14-29-56(51)61(58)46-34-31-40(32-35-46)49-27-16-28-52-50-25-12-15-30-57(50)62(59(49)52)45-21-8-3-9-22-45/h1-39H
InChIKeyGUKMBPOCVSCUEL-UHFFFAOYSA-N
MW789.98 g/mol
LogP15.61
Rot. Bonds7

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

1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (PubChem CID 118149315) has the molecular formula C59H39N3 and a molecular weight of 789.98 g/mol. Its IUPAC name is 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
PubChem CID118149315
Molecular FormulaC59H39N3
Molecular Weight789.98 g/mol
Exact Mass789.31
IUPAC Name1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C59H39N3/c1-4-17-41(18-5-1)54-38-44(39-55(60-54)42-19-6-2-7-20-42)48-24-11-10-23-47(48)43-33-36-58-53(37-43)51-26-13-14-29-56(51)61(58)46-34-31-40(32-35-46)49-27-16-28-52-50-25-12-15-30-57(50)62(59(49)52)45-21-8-3-9-22-45/h1-39H
InChIKeyGUKMBPOCVSCUEL-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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Related Compounds

1-[4-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149305
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 118149455
1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
1-[3-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149319
1-[2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149343
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-(9-naphthalen-2-ylcarbazol-3-yl)-1,9-diphenylcarbazole
CID 170072336
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573
7-phenyl-5-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240898
11-phenyl-12-[2-phenyl-6-(9-phenylcarbazol-3-yl)-4-pyridinyl]indolo[2,3-a]carbazole
CID 118041109
1-[3-[3-[4-(4,6-diphenylpyrimidin-2-yl)-2,5-dimethylphenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole
CID 118149494

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole (CID 118149315) is 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is c1ccc(-c2cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
The InChIKey is GUKMBPOCVSCUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39N3/c1-4-17-41(18-5-1)54-38-44(39-55(60-54)42-19-6-2-7-20-42)48-24-11-10-23-47(48)43-33-36-58-53(37-43)51-26-13-14-29-56(51)61(58)46-34-31-40(32-35-46)49-27-16-28-52-50-25-12-15-30-57(50)62(59(49)52)45-21-8-3-9-22-45/h1-39H.
What are the key properties of 1-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole?
1-[4-[3-[2-(2,6-diphenyl-4-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-[4-[3-[2-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 118149315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).