N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C130H108F8N4O2 — CID 159915230

IUPACN-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.CCC(C)c1ccc(OCCCCc2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C65H50F8N2O.C65H58N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51;1-5-45(2)47-28-36-56(37-29-47)68-41-15-14-16-46-23-39-63-59(42-46)60-43-51(30-40-64(60)67(63)52-19-10-7-11-20-52)50-26-33-54(34-27-50)66(53-31-24-49(25-32-53)48-17-8-6-9-18-48)55-35-38-58-57-21-12-13-22-61(57)65(3,4)62(58)44-55/h6-41H,5H2,1-4H3;6-13,17-40,42-45H,5,14-16,41H2,1-4H3
InChIKeyNXRQUQRNNSLDTB-UHFFFAOYSA-N
MW1910.30 g/mol
LogP37.25
Rot. Bonds28

About N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 159915230) has the molecular formula C130H108F8N4O2 and a molecular weight of 1910.30 g/mol. Its IUPAC name is N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID159915230
Molecular FormulaC130H108F8N4O2
Molecular Weight1910.30 g/mol
Exact Mass1908.83
IUPAC NameN-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.CCC(C)c1ccc(OCCCCc2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C65H50F8N2O.C65H58N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51;1-5-45(2)47-28-36-56(37-29-47)68-41-15-14-16-46-23-39-63-59(42-46)60-43-51(30-40-64(60)67(63)52-19-10-7-11-20-52)50-26-33-54(34-27-50)66(53-31-24-49(25-32-53)48-17-8-6-9-18-48)55-35-38-58-57-21-12-13-22-61(57)65(3,4)62(58)44-55/h6-41H,5H2,1-4H3;6-13,17-40,42-45H,5,14-16,41H2,1-4H3
InChIKeyNXRQUQRNNSLDTB-UHFFFAOYSA-N
XLogP37.25
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001910.30
LogP ≤ 537.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

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CID 89611419

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 159915230) is N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)c2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.CCC(C)c1ccc(OCCCCc2ccc3c(c2)c2cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is NXRQUQRNNSLDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H50F8N2O.C65H58N2O/c1-5-41(2)42-24-33-52(34-25-42)76-65(72,73)64(70,71)63(68,69)62(66,67)47-27-37-60-56(39-47)55-38-46(26-36-59(55)75(60)48-16-10-7-11-17-48)45-22-30-50(31-23-45)74(49-28-20-44(21-29-49)43-14-8-6-9-15-43)51-32-35-54-53-18-12-13-19-57(53)61(3,4)58(54)40-51;1-5-45(2)47-28-36-56(37-29-47)68-41-15-14-16-46-23-39-63-59(42-46)60-43-51(30-40-64(60)67(63)52-19-10-7-11-20-52)50-26-33-54(34-27-50)66(53-31-24-49(25-32-53)48-17-8-6-9-18-48)55-35-38-58-57-21-12-13-22-61(57)65(3,4)62(58)44-55/h6-41H,5H2,1-4H3;6-13,17-40,42-45H,5,14-16,41H2,1-4H3.
What are the key properties of N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 1910.30 g/mol, XLogP of 37.25, 28 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[4-(4-butan-2-ylphenoxy)butyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[6-[4-(4-butan-2-ylphenoxy)-1,1,2,2,3,3,4,4-octafluorobutyl]-9-phenylcarbazol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 159915230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).