2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine

C158H114N4O2 — CID 157096847

About 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine

2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine (PubChem CID 157096847) has the molecular formula C158H114N4O2 and a molecular weight of 2100.68 g/mol. Its IUPAC name is 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine
• PubChem CID: 157096847
• Molecular Formula: C158H114N4O2
• Molecular Weight: 2100.68 g/mol
• Exact Mass: 2098.89
• IUPAC Name: 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine
• SMILES: Cc1cc(-c2cccc3c2oc2ccccc23)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)cc1C.Cc1cc(-c2cccc3c2oc2ccccc23)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1C
• InChI: InChI=1S/C81H58N2O.C77H56N2O/c1-51-46-56(65-28-17-29-74-73-27-14-15-31-79(73)84-80(65)74)35-41-62(51)63-43-38-59(47-52(63)2)82(58-36-32-53(33-37-58)55-34-42-70-68-25-11-10-23-66(68)67-24-12-13-26-69(67)75(70)48-55)60-39-44-71-72-45-40-61(50-77(72)81(3,4)76(71)49-60)83(57-20-6-5-7-21-57)78-30-16-19-54-18-8-9-22-64(54)78;1-49-44-53(62-27-17-28-71-70-26-15-16-29-75(70)80-76(62)71)33-39-60(49)61-41-36-57(45-50(61)2)79(56-34-30-51(31-35-56)52-32-40-67-65-24-12-11-22-63(65)64-23-13-14-25-66(64)72(67)46-52)59-38-43-69-68-42-37-58(47-73(68)77(3,4)74(69)48-59)78(54-18-7-5-8-19-54)55-20-9-6-10-21-55/h5-50H,1-4H3;5-48H,1-4H3
• InChIKey: AFHPIVRHANZQBN-UHFFFAOYSA-N
• XLogP: 44.97
• TPSA: 39.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2100.68
LogP ≤ 5	44.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine?

The IUPAC name of 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine (CID 157096847) is 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine.

What is the SMILES notation for 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine?

The canonical SMILES for 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine is Cc1cc(-c2cccc3c2oc2ccccc23)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc5ccccc45)ccc2-3)cc1C.Cc1cc(-c2cccc3c2oc2ccccc23)ccc1-c1ccc(N(c2ccc(-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1C.

What is the InChIKey of 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine?

The InChIKey is AFHPIVRHANZQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H58N2O.C77H56N2O/c1-51-46-56(65-28-17-29-74-73-27-14-15-31-79(73)84-80(65)74)35-41-62(51)63-43-38-59(47-52(63)2)82(58-36-32-53(33-37-58)55-34-42-70-68-25-11-10-23-66(68)67-24-12-13-26-69(67)75(70)48-55)60-39-44-71-72-45-40-61(50-77(72)81(3,4)76(71)49-60)83(57-20-6-5-7-21-57)78-30-16-19-54-18-8-9-22-64(54)78;1-49-44-53(62-27-17-28-71-70-26-15-16-29-75(70)80-76(62)71)33-39-60(49)61-41-36-57(45-50(61)2)79(56-34-30-51(31-35-56)52-32-40-67-65-24-12-11-22-63(65)64-23-13-14-25-66(64)72(67)46-52)59-38-43-69-68-42-37-58(47-73(68)77(3,4)74(69)48-59)78(54-18-7-5-8-19-54)55-20-9-6-10-21-55/h5-50H,1-4H3;5-48H,1-4H3.

What are the key properties of 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine?

2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine has a molecular weight of 2100.68 g/mol, XLogP of 44.97, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-7-N,7-N-diphenyl-2-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine;7-N-[4-(4-dibenzofuran-4-yl-2-methylphenyl)-3-methylphenyl]-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-triphenylen-2-ylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 157096847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).