1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]

C183H162O3 — CID 163489937

About 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]

1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene] (PubChem CID 163489937) has the molecular formula C183H162O3 and a molecular weight of 2409.31 g/mol. Its IUPAC name is 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene].

Molecular Properties

• Compound Name: 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]
• PubChem CID: 163489937
• Molecular Formula: C183H162O3
• Molecular Weight: 2409.31 g/mol
• Exact Mass: 2407.25
• IUPAC Name: 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]
• SMILES: Cc1ccc2c(c1)C(C)(C)c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.Cc1ccc2c(c1)C1(c3ccccc3C(C)(C)c3ccccc31)c1ccccc1C2(C)C.Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2C(C)(C)c2ccccc21.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.Cc1cccc2c1Oc1ccccc1C21c2ccccc2C(C)(C)c2ccccc21
• InChI: InChI=1S/3C32H30.3C29H24O/c1-21-13-12-20-28-29(21)31(4,5)24-16-8-11-19-27(24)32(28)25-17-9-6-14-22(25)30(2,3)23-15-7-10-18-26(23)32;1-21-18-19-25-29(20-21)32(28-17-11-8-14-24(28)31(25,4)5)26-15-9-6-12-22(26)30(2,3)23-13-7-10-16-27(23)32;1-21-18-19-28-29(20-21)31(4,5)24-14-8-11-17-27(24)32(28)25-15-9-6-12-22(25)30(2,3)23-13-7-10-16-26(23)32;1-19-11-10-17-25-27(19)30-26-18-9-8-16-24(26)29(25)22-14-6-4-12-20(22)28(2,3)21-13-5-7-15-23(21)29;1-19-16-17-27-25(18-19)29(24-14-8-9-15-26(24)30-27)22-12-6-4-10-20(22)28(2,3)21-11-5-7-13-23(21)29;1-19-16-17-21-25(18-19)29(22-11-5-4-10-20(22)28(21,2)3)23-12-6-8-14-26(23)30-27-15-9-7-13-24(27)29/h3*6-20H,1-5H3;3*4-18H,1-3H3
• InChIKey: CLSNDNFKPALAPE-UHFFFAOYSA-N
• XLogP: 44.34
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2409.31
LogP ≤ 5	44.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]?

The IUPAC name of 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene] (CID 163489937) is 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene].

What is the SMILES notation for 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]?

The canonical SMILES for 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene] is Cc1ccc2c(c1)C(C)(C)c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.Cc1ccc2c(c1)C1(c3ccccc3C(C)(C)c3ccccc31)c1ccccc1C2(C)C.Cc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2C(C)(C)c2ccccc21.Cc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1C2(C)C.Cc1cccc2c1C(C)(C)c1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.Cc1cccc2c1Oc1ccccc1C21c2ccccc2C(C)(C)c2ccccc21.

What is the InChIKey of 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]?

The InChIKey is CLSNDNFKPALAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C32H30.3C29H24O/c1-21-13-12-20-28-29(21)31(4,5)24-16-8-11-19-27(24)32(28)25-17-9-6-14-22(25)30(2,3)23-15-7-10-18-26(23)32;1-21-18-19-25-29(20-21)32(28-17-11-8-14-24(28)31(25,4)5)26-15-9-6-12-22(26)30(2,3)23-13-7-10-16-27(23)32;1-21-18-19-28-29(20-21)31(4,5)24-14-8-11-17-27(24)32(28)25-15-9-6-12-22(25)30(2,3)23-13-7-10-16-26(23)32;1-19-11-10-17-25-27(19)30-26-18-9-8-16-24(26)29(25)22-14-6-4-12-20(22)28(2,3)21-13-5-7-15-23(21)29;1-19-16-17-27-25(18-19)29(24-14-8-9-15-26(24)30-27)22-12-6-4-10-20(22)28(2,3)21-11-5-7-13-23(21)29;1-19-16-17-21-25(18-19)29(22-11-5-4-10-20(22)28(21,2)3)23-12-6-8-14-26(23)30-27-15-9-7-13-24(27)29/h3*6-20H,1-5H3;3*4-18H,1-3H3.

What are the key properties of 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene]?

1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene] has a molecular weight of 2409.31 g/mol, XLogP of 44.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1',9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9,9,9',9'-pentamethyl-10,10'-spirobi[anthracene];2,9',9',10,10-pentamethyl-9,10'-spirobi[anthracene];2',9,9-trimethylspiro[anthracene-10,9'-xanthene];2,10,10-trimethylspiro[anthracene-9,9'-xanthene];4',9,9-trimethylspiro[anthracene-10,9'-xanthene] is sourced from PubChem (CID 163489937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).