3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]

C70H51NO — CID 145360960

About 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]

3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene] (PubChem CID 145360960) has the molecular formula C70H51NO and a molecular weight of 922.18 g/mol. Its IUPAC name is 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene].

Molecular Properties

• Compound Name: 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
• PubChem CID: 145360960
• Molecular Formula: C70H51NO
• Molecular Weight: 922.18 g/mol
• Exact Mass: 921.40
• IUPAC Name: 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]
• SMILES: Cc1ccc(-c2ccccc2)cc1.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12
• InChI: InChI=1S/C31H21NO.C26H18.C13H12/c1-20-8-7-13-30-31(20)26-19-22(15-17-29(26)33-30)21-14-16-28-25(18-21)24-11-5-6-12-27(24)32(28)23-9-3-2-4-10-23;1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-19H,1H3;2-16H,1H3;2-10H,1H3
• InChIKey: LLSIOZFHTRQALJ-UHFFFAOYSA-N
• XLogP: 18.66
• TPSA: 18.07 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.18
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]?

The IUPAC name of 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene] (CID 145360960) is 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene].

What is the SMILES notation for 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]?

The canonical SMILES for 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene] is Cc1ccc(-c2ccccc2)cc1.Cc1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.Cc1cccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c12.

What is the InChIKey of 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]?

The InChIKey is LLSIOZFHTRQALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21NO.C26H18.C13H12/c1-20-8-7-13-30-31(20)26-19-22(15-17-29(26)33-30)21-14-16-28-25(18-21)24-11-5-6-12-27(24)32(28)23-9-3-2-4-10-23;1-17-9-8-16-24-25(17)20-12-4-7-15-23(20)26(24)21-13-5-2-10-18(21)19-11-3-6-14-22(19)26;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12/h2-19H,1H3;2-16H,1H3;2-10H,1H3.

What are the key properties of 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene]?

3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene] has a molecular weight of 922.18 g/mol, XLogP of 18.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-methyldibenzofuran-2-yl)-9-phenylcarbazole;1-methyl-4-phenylbenzene;4'-methyl-9,9'-spirobi[fluorene] is sourced from PubChem (CID 145360960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).