9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C68H79N — CID 160836885

IUPAC9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)cc21
InChIInChI=1S/C68H79N/c1-3-5-7-9-11-13-15-17-19-28-48-68(49-29-20-18-16-14-12-10-8-6-4-2)66-35-27-26-34-63(66)64-47-46-61(52-67(64)68)69(59-42-38-54(39-43-59)53-30-22-21-23-31-53)60-44-40-55(41-45-60)56-36-37-58-50-57-32-24-25-33-62(57)65(58)51-56/h21-27,30-47,51-52H,3-20,28-29,48-50H2,1-2H3
InChIKeyVQXGCTJEYFOYBL-UHFFFAOYSA-N
MW910.39 g/mol
LogP20.95
Rot. Bonds27

About 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 160836885) has the molecular formula C68H79N and a molecular weight of 910.39 g/mol. Its IUPAC name is 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID160836885
Molecular FormulaC68H79N
Molecular Weight910.39 g/mol
Exact Mass909.62
IUPAC Name9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)cc21
InChIInChI=1S/C68H79N/c1-3-5-7-9-11-13-15-17-19-28-48-68(49-29-20-18-16-14-12-10-8-6-4-2)66-35-27-26-34-63(66)64-47-46-61(52-67(64)68)69(59-42-38-54(39-43-59)53-30-22-21-23-31-53)60-44-40-55(41-45-60)56-36-37-58-50-57-32-24-25-33-62(57)65(58)51-56/h21-27,30-47,51-52H,3-20,28-29,48-50H2,1-2H3
InChIKeyVQXGCTJEYFOYBL-UHFFFAOYSA-N
XLogP20.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.39
LogP ≤ 520.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]phenyl]-9,9-dihexyl-N-phenylfluoren-2-amine
CID 58389511
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
N-[4-[9,9-dihexyl-7-[4-(N-(4-methylphenyl)anilino)phenyl]fluoren-2-yl]phenyl]-4-methyl-N-phenylaniline
CID 58251082
N-[4-[10-[4-(N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]anilino)phenyl]anthracen-9-yl]phenyl]-9,9-dihexyl-N-[4-[10-(4-methylphenyl)anthracen-9-yl]phenyl]fluoren-2-amine
CID 89393937
9,9-dihexyl-N,N-bis[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 59470044
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
3-[4-[7-[4-[N-(3-carboxyphenyl)-4-[N-(3-carboxyphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]anilino]phenyl]-9,9-dioctylfluoren-2-yl]-N-[4-[N-(3-carboxyphenyl)-4-(9,9-dioctylfluoren-2-yl)anilino]phenyl]anilino]benzoic acid
CID 101050467
9,9-dibutyl-N,N-bis(4-methylphenyl)fluoren-2-amine
CID 86165804
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
N-[4-[4-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]-N-(4-phenylphenyl)bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 153294016
7-butan-2-yl-N-[4-(9,9-dioctyl-7-phenylfluoren-2-yl)phenyl]-9,9-dioctyl-N-phenylfluoren-2-amine
CID 126629992

Frequently Asked Questions

What is the IUPAC name of 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 160836885) is 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)-c4ccccc4C5)cc3)cc21.
What is the InChIKey of 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VQXGCTJEYFOYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H79N/c1-3-5-7-9-11-13-15-17-19-28-48-68(49-29-20-18-16-14-12-10-8-6-4-2)66-35-27-26-34-63(66)64-47-46-61(52-67(64)68)69(59-42-38-54(39-43-59)53-30-22-21-23-31-53)60-44-40-55(41-45-60)56-36-37-58-50-57-32-24-25-33-62(57)65(58)51-56/h21-27,30-47,51-52H,3-20,28-29,48-50H2,1-2H3.
What are the key properties of 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine?
9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 910.39 g/mol, XLogP of 20.95, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 160836885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).