4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine

C235H312N6 — CID 159196354

IUPAC4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)ccc2-c2ccc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)ccc2-c2ccc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc21
InChIInChI=1S/C81H100N2.C77H104N2.C77H108N2/c1-15-17-19-21-23-25-55-81(56-26-24-22-20-18-16-2)75-57-61(59-27-41-67(42-28-59)82(69-45-33-63(34-46-69)77(3,4)5)70-47-35-64(36-48-70)78(6,7)8)31-53-73(75)74-54-32-62(58-76(74)81)60-29-43-68(44-30-60)83(71-49-37-65(38-50-71)79(9,10)11)72-51-39-66(40-52-72)80(12,13)14;1-7-13-19-25-27-33-51-77(52-34-28-26-20-14-8-2)71-57-63(78-73-47-39-59(35-29-21-15-9-3)53-67(73)68-54-60(40-48-74(68)78)36-30-22-16-10-4)43-45-65(71)66-46-44-64(58-72(66)77)79-75-49-41-61(37-31-23-17-11-5)55-69(75)70-56-62(42-50-76(70)79)38-32-24-18-12-6;1-7-13-19-25-27-33-59-77(60-34-28-26-20-14-8-2)75-61-71(78(67-47-39-63(40-48-67)35-29-21-15-9-3)68-49-41-64(42-50-68)36-30-22-16-10-4)55-57-73(75)74-58-56-72(62-76(74)77)79(69-51-43-65(44-52-69)37-31-23-17-11-5)70-53-45-66(46-54-70)38-32-24-18-12-6/h27-54,57-58H,15-26,55-56H2,1-14H3;39-50,53-58H,7-38,51-52H2,1-6H3;39-58,61-62H,7-38,59-60H2,1-6H3
InChIKeyKOSDBZOOZOJAMI-UHFFFAOYSA-N
MW3221.12 g/mol
LogP73.94
Rot. Bonds98

About 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine

4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 159196354) has the molecular formula C235H312N6 and a molecular weight of 3221.12 g/mol. Its IUPAC name is 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound Name4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
PubChem CID159196354
Molecular FormulaC235H312N6
Molecular Weight3221.12 g/mol
Exact Mass3218.46
IUPAC Name4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)ccc2-c2ccc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)ccc2-c2ccc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc21
InChIInChI=1S/C81H100N2.C77H104N2.C77H108N2/c1-15-17-19-21-23-25-55-81(56-26-24-22-20-18-16-2)75-57-61(59-27-41-67(42-28-59)82(69-45-33-63(34-46-69)77(3,4)5)70-47-35-64(36-48-70)78(6,7)8)31-53-73(75)74-54-32-62(58-76(74)81)60-29-43-68(44-30-60)83(71-49-37-65(38-50-71)79(9,10)11)72-51-39-66(40-52-72)80(12,13)14;1-7-13-19-25-27-33-51-77(52-34-28-26-20-14-8-2)71-57-63(78-73-47-39-59(35-29-21-15-9-3)53-67(73)68-54-60(40-48-74(68)78)36-30-22-16-10-4)43-45-65(71)66-46-44-64(58-72(66)77)79-75-49-41-61(37-31-23-17-11-5)55-69(75)70-56-62(42-50-76(70)79)38-32-24-18-12-6;1-7-13-19-25-27-33-59-77(60-34-28-26-20-14-8-2)75-61-71(78(67-47-39-63(40-48-67)35-29-21-15-9-3)68-49-41-64(42-50-68)36-30-22-16-10-4)55-57-73(75)74-58-56-72(62-76(74)77)79(69-51-43-65(44-52-69)37-31-23-17-11-5)70-53-45-66(46-54-70)38-32-24-18-12-6/h27-54,57-58H,15-26,55-56H2,1-14H3;39-50,53-58H,7-38,51-52H2,1-6H3;39-58,61-62H,7-38,59-60H2,1-6H3
InChIKeyKOSDBZOOZOJAMI-UHFFFAOYSA-N
XLogP73.94
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds98
Heavy Atoms241
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003221.12
LogP ≤ 573.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-(9,9-didodecyl-7-methylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-N-[4-[9-(4-hexylphenyl)carbazol-3-yl]phenyl]-7,9,9-trimethylfluoren-2-amine
CID 177287687
N-[4-(9,9-didodecyl-7-methylfluoren-2-yl)phenyl]-N-[4-[9-[3-[4-(4-hexylphenyl)phenyl]phenyl]carbazol-3-yl]phenyl]-4-methylaniline
CID 170261213
9,9-bis[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144690360
9-[7-[4,6-bis[7-(3,6-ditert-butylcarbazol-9-yl)-9,9-dihexylfluoren-2-yl]-1,3,5-triazin-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-ditert-butylcarbazole
CID 132570017
4-butyl-N-[4-[4-(4-butyl-N-[4-(3-methylpentan-3-yl)phenyl]anilino)phenyl]phenyl]-N-[4-[7-(3-methylpentan-3-yl)-9,9-dioctylfluoren-2-yl]phenyl]aniline
CID 89206030
9,9-dihexyl-7-[2-methyl-7-[7-methyl-9-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]carbazol-2-yl]carbazol-9-yl]-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 134212481
N-[4-(9,9-didodecyl-3,7-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[9-[9-(4-pentylphenyl)carbazol-2-yl]carbazol-2-yl]phenyl]aniline
CID 177287449
2-(4-tert-butylphenyl)-5-[4-[7-(7-carbazol-9-yl-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]-1,3,4-oxadiazole
CID 102451900
N-(4-tert-butylphenyl)-N-[4-[10-[2,5-dihexyl-4-(10-methyl-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl)phenyl]-12,12-dioctyl-2-phenylindeno[1,2-c]carbazol-5-yl]phenyl]-4-methylaniline
CID 153472822
2-N,7-N-bis[8-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)-2,6-dimethylanilino)-N-(4-tert-butyl-2,6-dimethylphenyl)anilino]phenyl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine;2-N,7-N-bis[8-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]octyl]-2-N,7-N,3,6-tetramethyl-9,9-dioctylfluorene-2,7-diamine
CID 158148948
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 90085878
7-[3,6-bis(4-ethenylphenyl)carbazol-9-yl]-9,9-dihexyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 144690426

Frequently Asked Questions

What is the IUPAC name of 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine (CID 159196354) is 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)ccc2-c2ccc(-c3ccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)cc3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)ccc2-c2ccc(-n3c4ccc(CCCCCC)cc4c4cc(CCCCCC)ccc43)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)ccc2-c2ccc(N(c3ccc(CCCCCC)cc3)c3ccc(CCCCCC)cc3)cc21.
What is the InChIKey of 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is KOSDBZOOZOJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H100N2.C77H104N2.C77H108N2/c1-15-17-19-21-23-25-55-81(56-26-24-22-20-18-16-2)75-57-61(59-27-41-67(42-28-59)82(69-45-33-63(34-46-69)77(3,4)5)70-47-35-64(36-48-70)78(6,7)8)31-53-73(75)74-54-32-62(58-76(74)81)60-29-43-68(44-30-60)83(71-49-37-65(38-50-71)79(9,10)11)72-51-39-66(40-52-72)80(12,13)14;1-7-13-19-25-27-33-51-77(52-34-28-26-20-14-8-2)71-57-63(78-73-47-39-59(35-29-21-15-9-3)53-67(73)68-54-60(40-48-74(68)78)36-30-22-16-10-4)43-45-65(71)66-46-44-64(58-72(66)77)79-75-49-41-61(37-31-23-17-11-5)55-69(75)70-56-62(42-50-76(70)79)38-32-24-18-12-6;1-7-13-19-25-27-33-59-77(60-34-28-26-20-14-8-2)75-61-71(78(67-47-39-63(40-48-67)35-29-21-15-9-3)68-49-41-64(42-50-68)36-30-22-16-10-4)55-57-73(75)74-58-56-72(62-76(74)77)79(69-51-43-65(44-52-69)37-31-23-17-11-5)70-53-45-66(46-54-70)38-32-24-18-12-6/h27-54,57-58H,15-26,55-56H2,1-14H3;39-50,53-58H,7-38,51-52H2,1-6H3;39-58,61-62H,7-38,59-60H2,1-6H3.
What are the key properties of 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine?
4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 3221.12 g/mol, XLogP of 73.94, 98 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-9,9-dioctylfluoren-2-yl]-N,N-bis(4-tert-butylphenyl)aniline;9-[7-(3,6-dihexylcarbazol-9-yl)-9,9-dioctylfluoren-2-yl]-3,6-dihexylcarbazole;2-N,2-N,7-N,7-N-tetrakis(4-hexylphenyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 159196354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).