9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine

C102H104N2O4S2 — CID 146517165

About 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine

9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine (PubChem CID 146517165) has the molecular formula C102H104N2O4S2 and a molecular weight of 1486.10 g/mol. Its IUPAC name is 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine
• PubChem CID: 146517165
• Molecular Formula: C102H104N2O4S2
• Molecular Weight: 1486.10 g/mol
• Exact Mass: 1484.74
• IUPAC Name: 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine
• SMILES: CCCCC(CC)COc1ccc(C2(c3ccc(SCC4(CC)COC4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(OCC(CC)CCCC)cc6)(c6ccc(SCC8(CC)COC8)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C102H104N2O4S2/c1-7-13-25-73(9-3)65-107-87-53-39-77(40-54-87)101(79-43-57-89(58-44-79)109-71-99(11-5)67-105-68-99)95-33-23-21-31-91(95)93-61-51-85(63-97(93)101)103(81-27-17-15-18-28-81)83-47-35-75(36-48-83)76-37-49-84(50-38-76)104(82-29-19-16-20-30-82)86-52-62-94-92-32-22-24-34-96(92)102(98(94)64-86,78-41-55-88(56-42-78)108-66-74(10-4)26-14-8-2)80-45-59-90(60-46-80)110-72-100(12-6)69-106-70-100/h15-24,27-64,73-74H,7-14,25-26,65-72H2,1-6H3
• InChIKey: OMYMWRRQFGXVIP-UHFFFAOYSA-N
• XLogP: 27.25
• TPSA: 43.40 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 33
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1486.10
LogP ≤ 5	27.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine?

The IUPAC name of 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine (CID 146517165) is 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine.

What is the SMILES notation for 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine?

The canonical SMILES for 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine is CCCCC(CC)COc1ccc(C2(c3ccc(SCC4(CC)COC4)cc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6ccc7c(c6)C(c6ccc(OCC(CC)CCCC)cc6)(c6ccc(SCC8(CC)COC8)cc6)c6ccccc6-7)cc5)cc4)cc32)cc1.

What is the InChIKey of 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine?

The InChIKey is OMYMWRRQFGXVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H104N2O4S2/c1-7-13-25-73(9-3)65-107-87-53-39-77(40-54-87)101(79-43-57-89(58-44-79)109-71-99(11-5)67-105-68-99)95-33-23-21-31-91(95)93-61-51-85(63-97(93)101)103(81-27-17-15-18-28-81)83-47-35-75(36-48-83)76-37-49-84(50-38-76)104(82-29-19-16-20-30-82)86-52-62-94-92-32-22-24-34-96(92)102(98(94)64-86,78-41-55-88(56-42-78)108-66-74(10-4)26-14-8-2)80-45-59-90(60-46-80)110-72-100(12-6)69-106-70-100/h15-24,27-64,73-74H,7-14,25-26,65-72H2,1-6H3.

What are the key properties of 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine?

9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine has a molecular weight of 1486.10 g/mol, XLogP of 27.25, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2-ethylhexoxy)phenyl]-N-[4-[4-(N-[9-[4-(2-ethylhexoxy)phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]fluoren-2-yl]anilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 146517165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).