9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole

C59H37N3 — CID 58050259

IUPAC9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c4ccccc34)cccc2c1
InChIInChI=1S/C59H37N3/c1-2-18-44-38(16-1)17-15-27-49(44)59-52-25-5-3-23-50(52)58(51-24-4-6-26-53(51)59)41-32-40(36-60-37-41)39-33-42(61-54-28-11-7-19-45(54)46-20-8-12-29-55(46)61)35-43(34-39)62-56-30-13-9-21-47(56)48-22-10-14-31-57(48)62/h1-37H
InChIKeyNOFJQTBXIUCVND-UHFFFAOYSA-N
MW787.97 g/mol
LogP15.74
Rot. Bonds5

About 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole

9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole (PubChem CID 58050259) has the molecular formula C59H37N3 and a molecular weight of 787.97 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
PubChem CID58050259
Molecular FormulaC59H37N3
Molecular Weight787.97 g/mol
Exact Mass787.30
IUPAC Name9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole
SMILESc1ccc2c(-c3c4ccccc4c(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c4ccccc34)cccc2c1
InChIInChI=1S/C59H37N3/c1-2-18-44-38(16-1)17-15-27-49(44)59-52-25-5-3-23-50(52)58(51-24-4-6-26-53(51)59)41-32-40(36-60-37-41)39-33-42(61-54-28-11-7-19-45(54)46-20-8-12-29-55(46)61)35-43(34-39)62-56-30-13-9-21-47(56)48-22-10-14-31-57(48)62/h1-37H
InChIKeyNOFJQTBXIUCVND-UHFFFAOYSA-N
XLogP15.74
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.97
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole (CID 58050259) is 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole is c1ccc2c(-c3c4ccccc4c(-c4cncc(-c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c5)c4)c4ccccc34)cccc2c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
The InChIKey is NOFJQTBXIUCVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N3/c1-2-18-44-38(16-1)17-15-27-49(44)59-52-25-5-3-23-50(52)58(51-24-4-6-26-53(51)59)41-32-40(36-60-37-41)39-33-42(61-54-28-11-7-19-45(54)46-20-8-12-29-55(46)61)35-43(34-39)62-56-30-13-9-21-47(56)48-22-10-14-31-57(48)62/h1-37H.
What are the key properties of 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole has a molecular weight of 787.97 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]carbazole is sourced from PubChem (CID 58050259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).