3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole

C120H74N2S2 — CID 160992916

About 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 160992916) has the molecular formula C120H74N2S2 and a molecular weight of 1608.06 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• PubChem CID: 160992916
• Molecular Formula: C120H74N2S2
• Molecular Weight: 1608.06 g/mol
• Exact Mass: 1606.53
• IUPAC Name: 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6cccc7ccccc67)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1
• InChI: InChI=1S/2C60H37NS/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;1-2-14-39(15-3-1)58-48-18-6-8-20-50(48)59(51-21-9-7-19-49(51)58)40-27-31-45(32-28-40)61-55-33-29-43(42-26-25-38-13-4-5-16-41(38)35-42)36-53(55)54-37-44(30-34-56(54)61)46-22-12-23-52-47-17-10-11-24-57(47)62-60(46)52/h2*1-37H
• InChIKey: TUWLJUNTJUTUTI-UHFFFAOYSA-N
• XLogP: 34.56
• TPSA: 9.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1608.06
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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;3-dibenzothiophen-4-yl-6-naphthalen-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (CID 160992916) is 3-dibenzothiophen-4-yl-6-naphthalen-1-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-6-naphthalen-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccc(-c6ccc7ccccc7c6)cc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)cc1.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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole?

The InChIKey is TUWLJUNTJUTUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H37NS/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;1-2-14-39(15-3-1)58-48-18-6-8-20-50(48)59(51-21-9-7-19-49(51)58)40-27-31-45(32-28-40)61-55-33-29-43(42-26-25-38-13-4-5-16-41(38)35-42)36-53(55)54-37-44(30-34-56(54)61)46-22-12-23-52-47-17-10-11-24-57(47)62-60(46)52/h2*1-37H.

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-2-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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole has a molecular weight of 1608.06 g/mol, XLogP of 34.56, 10 rotatable bonds, 0 hydrogen bond donors, and 4 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;3-dibenzothiophen-4-yl-6-naphthalen-2-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole is sourced from PubChem (CID 160992916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).