3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole

C145H91N3S3 — CID 157411594

About 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole

3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole (PubChem CID 157411594) has the molecular formula C145H91N3S3 and a molecular weight of 1971.54 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole
• PubChem CID: 157411594
• Molecular Formula: C145H91N3S3
• Molecular Weight: 1971.54 g/mol
• Exact Mass: 1969.64
• IUPAC Name: 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole
• SMILES: Cc1cc(C)c(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)c(C)c1.c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c(-c2ccc3ccc4cccc5ccc2c3c45)c1
• InChI: InChI=1S/C53H37NS.2C46H27NS/c1-32-29-33(2)50(34(3)30-32)52-43-17-6-4-15-41(43)51(42-16-5-7-18-44(42)52)35-23-26-37(27-24-35)54-47-21-10-8-13-39(47)46-31-36(25-28-48(46)54)38-19-12-20-45-40-14-9-11-22-49(40)55-53(38)45;1-4-16-40(34(11-1)33-24-21-30-20-19-28-9-7-10-29-22-25-37(33)45(30)44(28)29)47-41-17-5-2-12-35(41)39-27-31(23-26-42(39)47)32-14-8-15-38-36-13-3-6-18-43(36)48-46(32)38;1-3-13-41-36(9-1)40-27-32(35-11-6-12-39-37-10-2-4-14-43(37)48-46(35)39)21-26-42(40)47(41)33-22-17-28(18-23-33)34-24-19-31-16-15-29-7-5-8-30-20-25-38(34)45(31)44(29)30/h4-31H,1-3H3;2*1-27H
• InChIKey: BOIUGJQRZJQWSJ-UHFFFAOYSA-N
• XLogP: 42.15
• TPSA: 14.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1971.54
LogP ≤ 5	42.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole (CID 157411594) is 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole is Cc1cc(C)c(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)cc3)c3ccccc23)c(C)c1.c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)ccc32)c(-c2ccc3ccc4cccc5ccc2c3c45)c1.

What is the InChIKey of 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole?

The InChIKey is BOIUGJQRZJQWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NS.2C46H27NS/c1-32-29-33(2)50(34(3)30-32)52-43-17-6-4-15-41(43)51(42-16-5-7-18-44(42)52)35-23-26-37(27-24-35)54-47-21-10-8-13-39(47)46-31-36(25-28-48(46)54)38-19-12-20-45-40-14-9-11-22-49(40)55-53(38)45;1-4-16-40(34(11-1)33-24-21-30-20-19-28-9-7-10-29-22-25-37(33)45(30)44(28)29)47-41-17-5-2-12-35(41)39-27-31(23-26-42(39)47)32-14-8-15-38-36-13-3-6-18-43(36)48-46(32)38;1-3-13-41-36(9-1)40-27-32(35-11-6-12-39-37-10-2-4-14-43(37)48-46(35)39)21-26-42(40)47(41)33-22-17-28(18-23-33)34-24-19-31-16-15-29-7-5-8-30-20-25-38(34)45(31)44(29)30/h4-31H,1-3H3;2*1-27H.

What are the key properties of 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole?

3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole has a molecular weight of 1971.54 g/mol, XLogP of 42.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-dibenzothiophen-4-yl-9-(2-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-(4-pyren-1-ylphenyl)carbazole;3-dibenzothiophen-4-yl-9-[4-[10-(2,4,6-trimethylphenyl)anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 157411594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).