9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole

C55H36N2 — CID 123416402

About 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole

9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole (PubChem CID 123416402) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole
• PubChem CID: 123416402
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole
• SMILES: C(=Cc1ccc(-n2c3ccccc3c3ccccc32)cn1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
• InChI: InChI=1S/C55H36N2/c1-2-14-44-40(12-1)13-11-21-47(44)55-50-19-5-3-17-48(50)54(49-18-4-6-20-51(49)55)41-31-29-39(30-32-41)38-27-24-37(25-28-38)26-33-42-34-35-43(36-56-42)57-52-22-9-7-15-45(52)46-16-8-10-23-53(46)57/h1-36H
• InChIKey: BCPORTATFZEHOL-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole?

The IUPAC name of 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole (CID 123416402) is 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole.

What is the SMILES notation for 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole?

The canonical SMILES for 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole is C(=Cc1ccc(-n2c3ccccc3c3ccccc32)cn1)c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.

What is the InChIKey of 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole?

The InChIKey is BCPORTATFZEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-2-14-44-40(12-1)13-11-21-47(44)55-50-19-5-3-17-48(50)54(49-18-4-6-20-51(49)55)41-31-29-39(30-32-41)38-27-24-37(25-28-38)26-33-42-34-35-43(36-56-42)57-52-22-9-7-15-45(52)46-16-8-10-23-53(46)57/h1-36H.

What are the key properties of 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole?

9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole has a molecular weight of 724.91 g/mol, XLogP of 14.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-[2-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]ethenyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 123416402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).