10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene

C129H96S2 — CID 162210199

About 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene

10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene (PubChem CID 162210199) has the molecular formula C129H96S2 and a molecular weight of 1710.32 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene.

Molecular Properties

• Compound Name: 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene
• PubChem CID: 162210199
• Molecular Formula: C129H96S2
• Molecular Weight: 1710.32 g/mol
• Exact Mass: 1708.70
• IUPAC Name: 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene
• SMILES: Cc1ccc2c(-c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cccc4c3sc3ccccc34)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cccc4sc5ccccc5c34)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1
• InChI: InChI=1S/C45H36.2C42H30S/c1-27-21-23-33-37(25-27)41(28-22-24-40-36(26-28)30-14-9-10-19-38(30)44(40,2)3)31-15-6-7-16-32(31)42(33)35-18-12-17-34-29-13-8-11-20-39(29)45(4,5)43(34)35;1-25-19-21-31-35(23-25)39(26-20-22-37-34(24-26)27-11-6-8-17-36(27)42(37,2)3)29-13-4-5-14-30(29)40(31)33-16-10-15-32-28-12-7-9-18-38(28)43-41(32)33;1-25-19-21-30-34(23-25)39(26-20-22-36-33(24-26)27-11-6-8-16-35(27)42(36,2)3)28-12-4-5-13-29(28)40(30)32-15-10-18-38-41(32)31-14-7-9-17-37(31)43-38/h6-26H,1-5H3;2*4-24H,1-3H3
• InChIKey: ZSSZLMMZQQJIPE-UHFFFAOYSA-N
• XLogP: 36.87
• TPSA: 0.00 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1710.32
LogP ≤ 5	36.87
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 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene?

The IUPAC name of 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene (CID 162210199) is 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene.

What is the SMILES notation for 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene?

The canonical SMILES for 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene is Cc1ccc2c(-c3cccc4c3C(C)(C)c3ccccc3-4)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cccc4c3sc3ccccc34)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.Cc1ccc2c(-c3cccc4sc5ccccc5c34)c3ccccc3c(-c3ccc4c(c3)-c3ccccc3C4(C)C)c2c1.

What is the InChIKey of 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene?

The InChIKey is ZSSZLMMZQQJIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36.2C42H30S/c1-27-21-23-33-37(25-27)41(28-22-24-40-36(26-28)30-14-9-10-19-38(30)44(40,2)3)31-15-6-7-16-32(31)42(33)35-18-12-17-34-29-13-8-11-20-39(29)45(4,5)43(34)35;1-25-19-21-31-35(23-25)39(26-20-22-37-34(24-26)27-11-6-8-17-36(27)42(37,2)3)29-13-4-5-14-30(29)40(31)33-16-10-15-32-28-12-7-9-18-38(28)43-41(32)33;1-25-19-21-30-34(23-25)39(26-20-22-36-33(24-26)27-11-6-8-16-35(27)42(36,2)3)28-12-4-5-13-29(28)40(30)32-15-10-18-38-41(32)31-14-7-9-17-37(31)43-38/h6-26H,1-5H3;2*4-24H,1-3H3.

What are the key properties of 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene?

10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene has a molecular weight of 1710.32 g/mol, XLogP of 36.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,9-dimethylfluoren-1-yl)-9-(9,9-dimethylfluoren-3-yl)-2-methylanthracene;1-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene;4-[10-(9,9-dimethylfluoren-3-yl)-3-methylanthracen-9-yl]dibenzothiophene is sourced from PubChem (CID 162210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).