9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

C92H68N2O2S2 — CID 146517163

About 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine

9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (PubChem CID 146517163) has the molecular formula C92H68N2O2S2 and a molecular weight of 1297.70 g/mol. Its IUPAC name is 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
• PubChem CID: 146517163
• Molecular Formula: C92H68N2O2S2
• Molecular Weight: 1297.70 g/mol
• Exact Mass: 1296.47
• IUPAC Name: 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
• SMILES: C=CCSc1ccc(C2(c3ccc(Oc4ccccc4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(Oc8ccccc8)cc6)(c6ccc(SCC=C)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C92H68N2O2S2/c1-3-61-97-81-55-41-69(42-56-81)91(67-37-51-79(52-38-67)95-77-25-13-7-14-26-77)87-31-19-17-29-83(87)85-59-49-75(63-89(85)91)93(71-21-9-5-10-22-71)73-45-33-65(34-46-73)66-35-47-74(48-36-66)94(72-23-11-6-12-24-72)76-50-60-86-84-30-18-20-32-88(84)92(90(86)64-76,70-43-57-82(58-44-70)98-62-4-2)68-39-53-80(54-40-68)96-78-27-15-8-16-28-78/h3-60,63-64H,1-2,61-62H2
• InChIKey: SKRYIXVJYGLFNU-UHFFFAOYSA-N
• XLogP: 25.16
• TPSA: 24.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.70
LogP ≤ 5	25.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The IUPAC name of 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine (CID 146517163) is 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The canonical SMILES for 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is C=CCSc1ccc(C2(c3ccc(Oc4ccccc4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(Oc8ccccc8)cc6)(c6ccc(SCC=C)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1.

What is the InChIKey of 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

The InChIKey is SKRYIXVJYGLFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H68N2O2S2/c1-3-61-97-81-55-41-69(42-56-81)91(67-37-51-79(52-38-67)95-77-25-13-7-14-26-77)87-31-19-17-29-83(87)85-59-49-75(63-89(85)91)93(71-21-9-5-10-22-71)73-45-33-65(34-46-73)66-35-47-74(48-36-66)94(72-23-11-6-12-24-72)76-50-60-86-84-30-18-20-32-88(84)92(90(86)64-76,70-43-57-82(58-44-70)98-62-4-2)68-39-53-80(54-40-68)96-78-27-15-8-16-28-78/h3-60,63-64H,1-2,61-62H2.

What are the key properties of 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine?

9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine has a molecular weight of 1297.70 g/mol, XLogP of 25.16, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine is sourced from PubChem (CID 146517163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).