9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole

C65H42N4 — CID 58526954

IUPAC9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C65H42N4/c1-2-17-43(18-3-1)58-40-48(41-59(66-58)44-33-35-49(36-34-44)67-60-27-10-4-21-52(60)53-22-5-11-28-61(53)67)46-20-16-19-45(37-46)47-38-50(68-62-29-12-6-23-54(62)55-24-7-13-30-63(55)68)42-51(39-47)69-64-31-14-8-25-56(64)57-26-9-15-32-65(57)69/h1-42H
InChIKeyWUCSVGZYMXJUES-UHFFFAOYSA-N
MW879.08 g/mol
LogP17.04
Rot. Bonds7

About 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole (PubChem CID 58526954) has the molecular formula C65H42N4 and a molecular weight of 879.08 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole
PubChem CID58526954
Molecular FormulaC65H42N4
Molecular Weight879.08 g/mol
Exact Mass878.34
IUPAC Name9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1
InChIInChI=1S/C65H42N4/c1-2-17-43(18-3-1)58-40-48(41-59(66-58)44-33-35-49(36-34-44)67-60-27-10-4-21-52(60)53-22-5-11-28-61(53)67)46-20-16-19-45(37-46)47-38-50(68-62-29-12-6-23-54(62)55-24-7-13-30-63(55)68)42-51(39-47)69-64-31-14-8-25-56(64)57-26-9-15-32-65(57)69/h1-42H
InChIKeyWUCSVGZYMXJUES-UHFFFAOYSA-N
XLogP17.04
TPSA27.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.08
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole (CID 58526954) is 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole is c1ccc(-c2cc(-c3cccc(-c4cc(-n5c6ccccc6c6ccccc65)cc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole?
The InChIKey is WUCSVGZYMXJUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N4/c1-2-17-43(18-3-1)58-40-48(41-59(66-58)44-33-35-49(36-34-44)67-60-27-10-4-21-52(60)53-22-5-11-28-61(53)67)46-20-16-19-45(37-46)47-38-50(68-62-29-12-6-23-54(62)55-24-7-13-30-63(55)68)42-51(39-47)69-64-31-14-8-25-56(64)57-26-9-15-32-65(57)69/h1-42H.
What are the key properties of 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole has a molecular weight of 879.08 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[3-[2-(4-carbazol-9-ylphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58526954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).