5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine

C94H78N2O2Si — CID 159238258

About 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine

5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine (PubChem CID 159238258) has the molecular formula C94H78N2O2Si and a molecular weight of 1295.76 g/mol. Its IUPAC name is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine.

Molecular Properties

• Compound Name: 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine
• PubChem CID: 159238258
• Molecular Formula: C94H78N2O2Si
• Molecular Weight: 1295.76 g/mol
• Exact Mass: 1294.58
• IUPAC Name: 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine
• SMILES: Cc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5c(-c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc56)c5ccccc5c3-4)cccc12
• InChI: InChI=1S/C94H78N2O2Si/c1-61-29-19-20-36-70(61)74-40-25-42-76-78-44-27-46-83(90(78)97-88(74)76)95(64-53-49-62(50-54-64)92(2,3)4)66-57-58-80-81(59-66)94(8,9)82-60-85(71-37-21-22-39-73(71)87(80)82)96(65-55-51-63(52-56-65)93(5,6)7)84-47-28-45-79-77-43-26-41-75(89(77)98-91(79)84)72-38-23-24-48-86(72)99(67-30-13-10-14-31-67,68-32-15-11-16-33-68)69-34-17-12-18-35-69/h10-60H,1-9H3
• InChIKey: JPMHWRAMAKZVSB-UHFFFAOYSA-N
• XLogP: 23.50
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.76
LogP ≤ 5	23.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine?

The IUPAC name of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine (CID 159238258) is 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine.

What is the SMILES notation for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine?

The canonical SMILES for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine is Cc1ccccc1-c1cccc2c1oc1c(N(c3ccc(C(C)(C)C)cc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(C(C)(C)C)cc5)c5cccc6c5oc5c(-c7ccccc7[Si](c7ccccc7)(c7ccccc7)c7ccccc7)cccc56)c5ccccc5c3-4)cccc12.

What is the InChIKey of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine?

The InChIKey is JPMHWRAMAKZVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H78N2O2Si/c1-61-29-19-20-36-70(61)74-40-25-42-76-78-44-27-46-83(90(78)97-88(74)76)95(64-53-49-62(50-54-64)92(2,3)4)66-57-58-80-81(59-66)94(8,9)82-60-85(71-37-21-22-39-73(71)87(80)82)96(65-55-51-63(52-56-65)93(5,6)7)84-47-28-45-79-77-43-26-41-75(89(77)98-91(79)84)72-38-23-24-48-86(72)99(67-30-13-10-14-31-67,68-32-15-11-16-33-68)69-34-17-12-18-35-69/h10-60H,1-9H3.

What are the key properties of 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine?

5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine has a molecular weight of 1295.76 g/mol, XLogP of 23.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-N,9-N-bis(4-tert-butylphenyl)-7,7-dimethyl-9-N-[6-(2-methylphenyl)dibenzofuran-4-yl]-5-N-[6-(2-triphenylsilylphenyl)dibenzofuran-4-yl]benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 159238258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).