3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C60H37NS — CID 87156604

About 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 87156604) has the molecular formula C60H37NS and a molecular weight of 804.03 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 87156604
• Molecular Formula: C60H37NS
• Molecular Weight: 804.03 g/mol
• Exact Mass: 803.26
• IUPAC Name: 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/C60H37NS/c1-2-15-39(16-3-1)58-48-20-6-8-22-50(48)59(51-23-9-7-21-49(51)58)40-28-32-43(33-29-40)61-55-34-30-41(45-24-12-17-38-14-4-5-18-44(38)45)36-53(55)54-37-42(31-35-56(54)61)46-25-13-26-52-47-19-10-11-27-57(47)62-60(46)52/h1-37H
• InChIKey: NSQHKZAHROFAAP-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 4.93 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.03
LogP ≤ 5	17.28
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 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The IUPAC name of 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 87156604) is 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.

What is the SMILES notation for 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The canonical SMILES for 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1.

What is the InChIKey of 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is NSQHKZAHROFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37NS/c1-2-15-39(16-3-1)58-48-20-6-8-22-50(48)59(51-23-9-7-21-49(51)58)40-28-32-43(33-29-40)61-55-34-30-41(45-24-12-17-38-14-4-5-18-44(38)45)36-53(55)54-37-42(31-35-56(54)61)46-25-13-26-52-47-19-10-11-27-57(47)62-60(46)52/h1-37H.

What are the key properties of 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 804.03 g/mol, XLogP of 17.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 87156604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).