1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]

C160H110 — CID 161480521

About 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]

1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene] (PubChem CID 161480521) has the molecular formula C160H110 and a molecular weight of 2032.64 g/mol. Its IUPAC name is 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene].

Molecular Properties

• Compound Name: 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
• PubChem CID: 161480521
• Molecular Formula: C160H110
• Molecular Weight: 2032.64 g/mol
• Exact Mass: 2030.86
• IUPAC Name: 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]
• SMILES: Cc1cccc2c1-c1ccc(-c3ccccc3)cc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/5C32H22/c1-21-11-2-3-12-22(21)26-16-10-17-27-25-15-6-9-20-30(25)32(31(26)27)28-18-7-4-13-23(28)24-14-5-8-19-29(24)32;1-21-11-2-3-12-22(21)25-16-10-20-30-31(25)26-15-6-9-19-29(26)32(30)27-17-7-4-13-23(27)24-14-5-8-18-28(24)32;1-21-10-2-3-11-23(21)22-18-19-31-27(20-22)26-14-6-9-17-30(26)32(31)28-15-7-4-12-24(28)25-13-5-8-16-29(25)32;1-21-10-2-3-11-23(21)22-18-19-27-26-14-6-9-17-30(26)32(31(27)20-22)28-15-7-4-12-24(28)25-13-5-8-16-29(25)32;1-21-10-9-17-29-31(21)26-19-18-23(22-11-3-2-4-12-22)20-30(26)32(29)27-15-7-5-13-24(27)25-14-6-8-16-28(25)32/h5*2-20H,1H3
• InChIKey: WEHJEWBQCGMAJY-UHFFFAOYSA-N
• XLogP: 40.03
• TPSA: 0.00 Ų
• Rotatable Bonds: 5
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2032.64
LogP ≤ 5	40.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]?

The IUPAC name of 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene] (CID 161480521) is 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene].

What is the SMILES notation for 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]?

The canonical SMILES for 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene] is Cc1cccc2c1-c1ccc(-c3ccccc3)cc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.Cc1ccccc1-c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1ccccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]?

The InChIKey is WEHJEWBQCGMAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/5C32H22/c1-21-11-2-3-12-22(21)26-16-10-17-27-25-15-6-9-20-30(25)32(31(26)27)28-18-7-4-13-23(28)24-14-5-8-19-29(24)32;1-21-11-2-3-12-22(21)25-16-10-20-30-31(25)26-15-6-9-19-29(26)32(30)27-17-7-4-13-23(27)24-14-5-8-18-28(24)32;1-21-10-2-3-11-23(21)22-18-19-31-27(20-22)26-14-6-9-17-30(26)32(31)28-15-7-4-12-24(28)25-13-5-8-16-29(25)32;1-21-10-2-3-11-23(21)22-18-19-27-26-14-6-9-17-30(26)32(31(27)20-22)28-15-7-4-12-24(28)25-13-5-8-16-29(25)32;1-21-10-9-17-29-31(21)26-19-18-23(22-11-3-2-4-12-22)20-30(26)32(29)27-15-7-5-13-24(27)25-14-6-8-16-28(25)32/h5*2-20H,1H3.

What are the key properties of 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene]?

1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene] has a molecular weight of 2032.64 g/mol, XLogP of 40.03, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(2-methylphenyl)-9,9'-spirobi[fluorene];2-(2-methylphenyl)-9,9'-spirobi[fluorene];3-(2-methylphenyl)-9,9'-spirobi[fluorene];4'-(2-methylphenyl)-9,9'-spirobi[fluorene];5'-methyl-2'-phenyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 161480521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).