9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole

C142H90N2S4 — CID 160965423

About 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole

9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole (PubChem CID 160965423) has the molecular formula C142H90N2S4 and a molecular weight of 1952.56 g/mol. Its IUPAC name is 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole.

Molecular Properties

• Compound Name: 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole
• PubChem CID: 160965423
• Molecular Formula: C142H90N2S4
• Molecular Weight: 1952.56 g/mol
• Exact Mass: 1950.60
• IUPAC Name: 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole
• SMILES: Cc1cc2c(-c3ccccc3)c3cc(C)c(C)cc3c(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2cc1C.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-n6c7ccc(-c8cccc9c8sc8ccccc89)cc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)ccc45)cc3)ccc2c1
• InChI: InChI=1S/C82H49NS2.C60H41NS2/c1-3-15-56-45-58(37-31-50(56)13-1)52-27-33-54(34-28-52)79-67-19-5-6-20-68(67)80(55-35-29-53(30-36-55)59-38-32-51-14-2-4-16-57(51)46-59)74-49-62(41-42-69(74)79)83-75-43-39-60(63-21-11-23-70-65-17-7-9-25-77(65)84-81(63)70)47-72(75)73-48-61(40-44-76(73)83)64-22-12-24-71-66-18-8-10-26-78(66)85-82(64)71;1-34-28-49-51(30-36(34)3)58(52-31-37(4)35(2)29-50(52)57(49)38-14-6-5-7-15-38)61-53-26-24-39(41-18-12-20-45-43-16-8-10-22-55(43)62-59(41)45)32-47(53)48-33-40(25-27-54(48)61)42-19-13-21-46-44-17-9-11-23-56(44)63-60(42)46/h1-49H;5-33H,1-4H3
• InChIKey: SXOBJJQBTIWVBQ-UHFFFAOYSA-N
• XLogP: 42.19
• TPSA: 9.86 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1952.56
LogP ≤ 5	42.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole?

The IUPAC name of 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole (CID 160965423) is 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole.

What is the SMILES notation for 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole?

The canonical SMILES for 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole is Cc1cc2c(-c3ccccc3)c3cc(C)c(C)cc3c(-n3c4ccc(-c5cccc6c5sc5ccccc56)cc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)c2cc1C.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc7ccccc7c6)cc5)c5cc(-n6c7ccc(-c8cccc9c8sc8ccccc89)cc7c7cc(-c8cccc9c8sc8ccccc89)ccc76)ccc45)cc3)ccc2c1.

What is the InChIKey of 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole?

The InChIKey is SXOBJJQBTIWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H49NS2.C60H41NS2/c1-3-15-56-45-58(37-31-50(56)13-1)52-27-33-54(34-28-52)79-67-19-5-6-20-68(67)80(55-35-29-53(30-36-55)59-38-32-51-14-2-4-16-57(51)46-59)74-49-62(41-42-69(74)79)83-75-43-39-60(63-21-11-23-70-65-17-7-9-25-77(65)84-81(63)70)47-72(75)73-48-61(40-44-76(73)83)64-22-12-24-71-66-18-8-10-26-78(66)85-82(64)71;1-34-28-49-51(30-36(34)3)58(52-31-37(4)35(2)29-50(52)57(49)38-14-6-5-7-15-38)61-53-26-24-39(41-18-12-20-45-43-16-8-10-22-55(43)62-59(41)45)32-47(53)48-33-40(25-27-54(48)61)42-19-13-21-46-44-17-9-11-23-56(44)63-60(42)46/h1-49H;5-33H,1-4H3.

What are the key properties of 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole?

9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole has a molecular weight of 1952.56 g/mol, XLogP of 42.19, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9,10-bis(4-naphthalen-2-ylphenyl)anthracen-2-yl]-3,6-di(dibenzothiophen-4-yl)carbazole;3,6-di(dibenzothiophen-4-yl)-9-(2,3,6,7-tetramethyl-10-phenylanthracen-9-yl)carbazole is sourced from PubChem (CID 160965423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).