4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene

C183H116O2S3 — CID 161019280

About 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene

4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene (PubChem CID 161019280) has the molecular formula C183H116O2S3 and a molecular weight of 2443.14 g/mol. Its IUPAC name is 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene.

Molecular Properties

• Compound Name: 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene
• PubChem CID: 161019280
• Molecular Formula: C183H116O2S3
• Molecular Weight: 2443.14 g/mol
• Exact Mass: 2440.81
• IUPAC Name: 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene
• SMILES: c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6cccc7sc8ccccc8c67)c5)c4)c4ccccc4-c4ccccc43)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)c1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
• InChI: InChI=1S/2C61H38OS.C61H40S/c1-5-30-54-49(23-1)50-24-2-6-31-55(50)61(54,45-21-11-17-41(37-45)39-15-9-19-43(35-39)47-27-14-34-58-59(47)53-26-4-8-33-57(53)63-58)46-22-12-18-42(38-46)40-16-10-20-44(36-40)48-28-13-29-52-51-25-3-7-32-56(51)62-60(48)52;1-5-19-55-49(11-1)50-12-2-6-20-56(50)61(55,45-35-31-41(32-36-45)39-23-27-43(28-24-39)47-15-9-17-53-51-13-3-7-21-57(51)62-59(47)53)46-37-33-42(34-38-46)40-25-29-44(30-26-40)48-16-10-18-54-52-14-4-8-22-58(52)63-60(48)54;1-4-16-41(17-5-1)44-20-14-22-46(36-44)48-32-35-59-55(38-48)56-40-49(47-23-15-21-45(37-47)42-18-6-2-7-19-42)39-54(60(56)62-59)43-30-33-51(34-31-43)61(50-24-8-3-9-25-50)57-28-12-10-26-52(57)53-27-11-13-29-58(53)61/h2*1-38H;1-40H
• InChIKey: TYDMJANCYJGWKX-UHFFFAOYSA-N
• XLogP: 50.72
• TPSA: 26.28 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2443.14
LogP ≤ 5	50.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene?

The IUPAC name of 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene (CID 161019280) is 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene.

What is the SMILES notation for 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene?

The canonical SMILES for 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene is c1cc(-c2cccc(C3(c4cccc(-c5cccc(-c6cccc7sc8ccccc8c67)c5)c4)c4ccccc4-c4ccccc43)c2)cc(-c2cccc3c2oc2ccccc23)c1.c1ccc(-c2cccc(-c3ccc4sc5c(-c6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6)cc(-c6cccc(-c7ccccc7)c6)cc5c4c3)c2)cc1.c1ccc2c(c1)-c1ccccc1C2(c1ccc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1)c1ccc(-c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.

What is the InChIKey of 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene?

The InChIKey is TYDMJANCYJGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C61H38OS.C61H40S/c1-5-30-54-49(23-1)50-24-2-6-31-55(50)61(54,45-21-11-17-41(37-45)39-15-9-19-43(35-39)47-27-14-34-58-59(47)53-26-4-8-33-57(53)63-58)46-22-12-18-42(38-46)40-16-10-20-44(36-40)48-28-13-29-52-51-25-3-7-32-56(51)62-60(48)52;1-5-19-55-49(11-1)50-12-2-6-20-56(50)61(55,45-35-31-41(32-36-45)39-23-27-43(28-24-39)47-15-9-17-53-51-13-3-7-21-57(51)62-59(47)53)46-37-33-42(34-38-46)40-25-29-44(30-26-40)48-16-10-18-54-52-14-4-8-22-58(52)63-60(48)54;1-4-16-41(17-5-1)44-20-14-22-46(36-44)48-32-35-59-55(38-48)56-40-49(47-23-15-21-45(37-47)42-18-6-2-7-19-42)39-54(60(56)62-59)43-30-33-51(34-31-43)61(50-24-8-3-9-25-50)57-28-12-10-26-52(57)53-27-11-13-29-58(53)61/h2*1-38H;1-40H.

What are the key properties of 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene?

4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene has a molecular weight of 2443.14 g/mol, XLogP of 50.72, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[9-[3-(3-dibenzothiophen-1-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-[4-[9-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]dibenzofuran;4-[4-(9-phenylfluoren-9-yl)phenyl]-2,8-bis(3-phenylphenyl)dibenzothiophene is sourced from PubChem (CID 161019280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).