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

C88H66N2S2 — CID 167223781

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

9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine (PubChem CID 167223781) has the molecular formula C88H66N2S2 and a molecular weight of 1215.64 g/mol. Its IUPAC name is 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine
• PubChem CID: 167223781
• Molecular Formula: C88H66N2S2
• Molecular Weight: 1215.64 g/mol
• Exact Mass: 1214.47
• IUPAC Name: 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine
• SMILES: C=CCSc1ccc(C2(c3ccc4ccccc4c3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(SCCC)cc6)(c6ccc8ccccc8c6)c6ccccc6-7)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C88H66N2S2/c1-3-55-91-77-49-39-67(40-50-77)87(69-37-31-61-19-11-13-21-65(61)57-69)83-29-17-15-27-79(83)81-53-47-75(59-85(81)87)89(71-23-7-5-8-24-71)73-43-33-63(34-44-73)64-35-45-74(46-36-64)90(72-25-9-6-10-26-72)76-48-54-82-80-28-16-18-30-84(80)88(86(82)60-76,68-41-51-78(52-42-68)92-56-4-2)70-38-32-62-20-12-14-22-66(62)58-70/h3,5-54,57-60H,1,4,55-56H2,2H3
• InChIKey: RACIKIARUKUOMN-UHFFFAOYSA-N
• XLogP: 24.11
• TPSA: 6.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.64
LogP ≤ 5	24.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine (CID 167223781) is 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine.

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

The canonical SMILES for 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine is C=CCSc1ccc(C2(c3ccc4ccccc4c3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(SCCC)cc6)(c6ccc8ccccc8c6)c6ccccc6-7)cc5)cc4)cc32)cc1.

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

The InChIKey is RACIKIARUKUOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H66N2S2/c1-3-55-91-77-49-39-67(40-50-77)87(69-37-31-61-19-11-13-21-65(61)57-69)83-29-17-15-27-79(83)81-53-47-75(59-85(81)87)89(71-23-7-5-8-24-71)73-43-33-63(34-44-73)64-35-45-74(46-36-64)90(72-25-9-6-10-26-72)76-48-54-82-80-28-16-18-30-84(80)88(86(82)60-76,68-41-51-78(52-42-68)92-56-4-2)70-38-32-62-20-12-14-22-66(62)58-70/h3,5-54,57-60H,1,4,55-56H2,2H3.

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

9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine has a molecular weight of 1215.64 g/mol, XLogP of 24.11, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-N-[4-[4-(N-[9-naphthalen-2-yl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-propylsulfanylphenyl)fluoren-2-amine is sourced from PubChem (CID 167223781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).