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

C182H164N4O4S4 — CID 158465631

IUPAC9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine
SMILESCCC1(CSc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(C)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1
InChIInChI=1S/C94H88N2O2S2.C88H76N2O2S2/c1-9-91(59-97-60-91)63-99-79-51-41-71(42-52-79)93(69-37-33-67(34-38-69)89(3,4)5)85-27-19-17-25-81(85)83-55-49-77(57-87(83)93)95(73-21-13-11-14-22-73)75-45-29-65(30-46-75)66-31-47-76(48-32-66)96(74-23-15-12-16-24-74)78-50-56-84-82-26-18-20-28-86(82)94(88(84)58-78,70-39-35-68(36-40-70)90(6,7)8)72-43-53-80(54-44-72)100-64-92(10-2)61-98-62-92;1-5-85(55-91-56-85)59-93-75-47-37-67(38-48-75)87(65-33-25-61(3)26-34-65)81-23-15-13-21-77(81)79-51-45-73(53-83(79)87)89(69-17-9-7-10-18-69)71-41-29-63(30-42-71)64-31-43-72(44-32-64)90(70-19-11-8-12-20-70)74-46-52-80-78-22-14-16-24-82(78)88(84(80)54-74,66-35-27-62(4)28-36-66)68-39-49-76(50-40-68)94-60-86(6-2)57-92-58-86/h11-58H,9-10,59-64H2,1-8H3;7-54H,5-6,55-60H2,1-4H3
InChIKeyHFSGORKYVKJYPA-UHFFFAOYSA-N
MW2599.61 g/mol
LogP47.33
Rot. Bonds38

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

9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine (PubChem CID 158465631) has the molecular formula C182H164N4O4S4 and a molecular weight of 2599.61 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine
PubChem CID158465631
Molecular FormulaC182H164N4O4S4
Molecular Weight2599.61 g/mol
Exact Mass2597.16
IUPAC Name9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine
SMILESCCC1(CSc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(C)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1
InChIInChI=1S/C94H88N2O2S2.C88H76N2O2S2/c1-9-91(59-97-60-91)63-99-79-51-41-71(42-52-79)93(69-37-33-67(34-38-69)89(3,4)5)85-27-19-17-25-81(85)83-55-49-77(57-87(83)93)95(73-21-13-11-14-22-73)75-45-29-65(30-46-75)66-31-47-76(48-32-66)96(74-23-15-12-16-24-74)78-50-56-84-82-26-18-20-28-86(82)94(88(84)58-78,70-39-35-68(36-40-70)90(6,7)8)72-43-53-80(54-44-72)100-64-92(10-2)61-98-62-92;1-5-85(55-91-56-85)59-93-75-47-37-67(38-48-75)87(65-33-25-61(3)26-34-65)81-23-15-13-21-77(81)79-51-45-73(53-83(79)87)89(69-17-9-7-10-18-69)71-41-29-63(30-42-71)64-31-43-72(44-32-64)90(70-19-11-8-12-20-70)74-46-52-80-78-22-14-16-24-82(78)88(84(80)54-74,66-35-27-62(4)28-36-66)68-39-49-76(50-40-68)94-60-86(6-2)57-92-58-86/h11-58H,9-10,59-64H2,1-8H3;7-54H,5-6,55-60H2,1-4H3
InChIKeyHFSGORKYVKJYPA-UHFFFAOYSA-N
XLogP47.33
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds38
Heavy Atoms194
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002599.61
LogP ≤ 547.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine?
The IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine (CID 158465631) is 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine.
What is the SMILES notation for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine?
The canonical SMILES for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine is CCC1(CSc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(SCC9(CC)COC9)cc7)(c7ccc(C(C)(C)C)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.CCC1(CSc2ccc(C3(c4ccc(C)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccc(C)cc7)(c7ccc(SCC9(CC)COC9)cc7)c7ccccc7-8)cc6)cc5)cc43)cc2)COC1.
What is the InChIKey of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine?
The InChIKey is HFSGORKYVKJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H88N2O2S2.C88H76N2O2S2/c1-9-91(59-97-60-91)63-99-79-51-41-71(42-52-79)93(69-37-33-67(34-38-69)89(3,4)5)85-27-19-17-25-81(85)83-55-49-77(57-87(83)93)95(73-21-13-11-14-22-73)75-45-29-65(30-46-75)66-31-47-76(48-32-66)96(74-23-15-12-16-24-74)78-50-56-84-82-26-18-20-28-86(82)94(88(84)58-78,70-39-35-68(36-40-70)90(6,7)8)72-43-53-80(54-44-72)100-64-92(10-2)61-98-62-92;1-5-85(55-91-56-85)59-93-75-47-37-67(38-48-75)87(65-33-25-61(3)26-34-65)81-23-15-13-21-77(81)79-51-45-73(53-83(79)87)89(69-17-9-7-10-18-69)71-41-29-63(30-42-71)64-31-43-72(44-32-64)90(70-19-11-8-12-20-70)74-46-52-80-78-22-14-16-24-82(78)88(84(80)54-74,66-35-27-62(4)28-36-66)68-39-49-76(50-40-68)94-60-86(6-2)57-92-58-86/h11-58H,9-10,59-64H2,1-8H3;7-54H,5-6,55-60H2,1-4H3.
What are the key properties of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine?
9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine has a molecular weight of 2599.61 g/mol, XLogP of 47.33, 38 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-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-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methylsulfanyl]phenyl]-9-(4-methylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-9-(4-methylphenyl)-N-phenylfluoren-2-amine is sourced from PubChem (CID 158465631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).