N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

C164H215N3 — CID 158073816

IUPACN-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21
InChIInChI=1S/C89H114N2.C75H101N/c1-10-15-19-23-27-31-59-88(60-32-28-24-20-16-11-2)84-63-72(70(9)14-5)43-55-80(84)81-56-44-73(64-85(81)88)71-41-51-77(52-42-71)91(76-49-39-69(8)40-50-76)79-54-58-83-82-57-53-78(90(74-45-35-67(6)36-46-74)75-47-37-68(7)38-48-75)65-86(82)89(87(83)66-79,61-33-29-25-21-17-12-3)62-34-30-26-22-18-13-4;1-8-13-17-21-25-31-51-74(52-32-26-22-18-14-9-2)70-36-30-29-35-66(70)69-50-47-65(57-73(69)74)76(63-43-37-58(6)38-44-63)64-45-39-60(40-46-64)62-42-49-68-67-48-41-61(59(7)12-5)55-71(67)75(72(68)56-62,53-33-27-23-19-15-10-3)54-34-28-24-20-16-11-4/h35-58,63-66,70H,10-34,59-62H2,1-9H3;29-30,35-50,55-57,59H,8-28,31-34,51-54H2,1-7H3
InChIKeyFMDBAZWPDXVNBX-UHFFFAOYSA-N
MW2228.54 g/mol
LogP52.45
Rot. Bonds71

About N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (PubChem CID 158073816) has the molecular formula C164H215N3 and a molecular weight of 2228.54 g/mol. Its IUPAC name is N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.

Molecular Properties

Compound NameN-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
PubChem CID158073816
Molecular FormulaC164H215N3
Molecular Weight2228.54 g/mol
Exact Mass2226.69
IUPAC NameN-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21
InChIInChI=1S/C89H114N2.C75H101N/c1-10-15-19-23-27-31-59-88(60-32-28-24-20-16-11-2)84-63-72(70(9)14-5)43-55-80(84)81-56-44-73(64-85(81)88)71-41-51-77(52-42-71)91(76-49-39-69(8)40-50-76)79-54-58-83-82-57-53-78(90(74-45-35-67(6)36-46-74)75-47-37-68(7)38-48-75)65-86(82)89(87(83)66-79,61-33-29-25-21-17-12-3)62-34-30-26-22-18-13-4;1-8-13-17-21-25-31-51-74(52-32-26-22-18-14-9-2)70-36-30-29-35-66(70)69-50-47-65(57-73(69)74)76(63-43-37-58(6)38-44-63)64-45-39-60(40-46-64)62-42-49-68-67-48-41-61(59(7)12-5)55-71(67)75(72(68)56-62,53-33-27-23-19-15-10-3)54-34-28-24-20-16-11-4/h35-58,63-66,70H,10-34,59-62H2,1-9H3;29-30,35-50,55-57,59H,8-28,31-34,51-54H2,1-7H3
InChIKeyFMDBAZWPDXVNBX-UHFFFAOYSA-N
XLogP52.45
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds71
Heavy Atoms167
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002228.54
LogP ≤ 552.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine with MolForge

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Related Compounds

7-N-[4-(7-butan-2-yl-9,9-dimethylfluoren-2-yl)phenyl]-2-N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-9,9-dimethyl-2-N,7-N-bis(4-methylphenyl)fluorene-2,7-diamine
CID 129302630
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992
9-butan-2-ylcarbazole;N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-7-[4-(N-[4-(9,9-dioctylfluoren-2-yl)phenyl]-4-methylanilino)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine
CID 157068052
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
2-N-[4-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-butan-2-ylfluoren-2-yl]phenyl]-7-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630030
7-N-[4-[7-[9,9-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-phenylfluoren-2-yl]-9,9-dioctylfluoren-2-yl]phenyl]-2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-9,9-dioctyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 126630042
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
N-[4-[9,9-dihexyl-7-[4-(N-methyl-4-propan-2-ylanilino)phenyl]fluoren-2-yl]phenyl]-9,9-dihexyl-7-methyl-N-(4-propan-2-ylphenyl)fluoren-2-amine
CID 58251074
N-[4-[7-[4-[N-(4-butan-2-ylphenyl)-4-(9,9-dihexyl-7-phenylfluoren-2-yl)anilino]phenyl]-9,9-dihexylfluoren-2-yl]phenyl]-N-[4-(4-ethenylphenoxy)phenyl]-4-methylaniline
CID 88559551
2-(4-butan-2-ylphenyl)-9,9-dioctyl-7-(2-phenylphenyl)fluorene
CID 59816926
2-(9,9-dihexylfluoren-2-yl)-7-(9,9-dihexyl-7-methylfluoren-2-yl)-9,9-dihexylfluorene
CID 59512955
3-methyl-N-[4-[4-(4-methyl-N-[4-(7-methyl-9,9-dioctylfluoren-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 23530066

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The IUPAC name of N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine (CID 158073816) is N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine.
What is the SMILES notation for N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The canonical SMILES for N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(N(c6ccc(C)cc6)c6ccc(C)cc6)ccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccc(N(c4ccc(C)cc4)c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4ccccc4-5)cc3)ccc2-c2ccc(C(C)CC)cc21.
What is the InChIKey of N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
The InChIKey is FMDBAZWPDXVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H114N2.C75H101N/c1-10-15-19-23-27-31-59-88(60-32-28-24-20-16-11-2)84-63-72(70(9)14-5)43-55-80(84)81-56-44-73(64-85(81)88)71-41-51-77(52-42-71)91(76-49-39-69(8)40-50-76)79-54-58-83-82-57-53-78(90(74-45-35-67(6)36-46-74)75-47-37-68(7)38-48-75)65-86(82)89(87(83)66-79,61-33-29-25-21-17-12-3)62-34-30-26-22-18-13-4;1-8-13-17-21-25-31-51-74(52-32-26-22-18-14-9-2)70-36-30-29-35-66(70)69-50-47-65(57-73(69)74)76(63-43-37-58(6)38-44-63)64-45-39-60(40-46-64)62-42-49-68-67-48-41-61(59(7)12-5)55-71(67)75(72(68)56-62,53-33-27-23-19-15-10-3)54-34-28-24-20-16-11-4/h35-58,63-66,70H,10-34,59-62H2,1-9H3;29-30,35-50,55-57,59H,8-28,31-34,51-54H2,1-7H3.
What are the key properties of N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine?
N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine has a molecular weight of 2228.54 g/mol, XLogP of 52.45, 71 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-N-(4-methylphenyl)-9,9-dioctylfluoren-2-amine;2-N-[4-(7-butan-2-yl-9,9-dioctylfluoren-2-yl)phenyl]-2-N,7-N,7-N-tris(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine is sourced from PubChem (CID 158073816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).