1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

C73H64N2 — CID 59480577

IUPAC1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESCCCCc1ccc(-c2ccc(C3(c4ccc(N(c5ccc(N(c6ccc(CCCC)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)cc1
InChIInChI=1S/C73H64N2/c1-5-7-15-53-27-31-55(32-28-53)56-33-35-59(36-34-56)73(69-49-51(3)25-47-67(69)68-48-26-52(4)50-70(68)73)60-37-41-62(42-38-60)75(72-24-14-20-58-18-10-12-22-66(58)72)64-45-43-63(44-46-64)74(61-39-29-54(30-40-61)16-8-6-2)71-23-13-19-57-17-9-11-21-65(57)71/h9-14,17-50H,5-8,15-16H2,1-4H3
InChIKeyWGJUDJHXXIHQEK-UHFFFAOYSA-N
MW969.33 g/mol
LogP20.26
Rot. Bonds15

About 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine

1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (PubChem CID 59480577) has the molecular formula C73H64N2 and a molecular weight of 969.33 g/mol. Its IUPAC name is 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
PubChem CID59480577
Molecular FormulaC73H64N2
Molecular Weight969.33 g/mol
Exact Mass968.51
IUPAC Name1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine
SMILESCCCCc1ccc(-c2ccc(C3(c4ccc(N(c5ccc(N(c6ccc(CCCC)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)cc1
InChIInChI=1S/C73H64N2/c1-5-7-15-53-27-31-55(32-28-53)56-33-35-59(36-34-56)73(69-49-51(3)25-47-67(69)68-48-26-52(4)50-70(68)73)60-37-41-62(42-38-60)75(72-24-14-20-58-18-10-12-22-66(58)72)64-45-43-63(44-46-64)74(61-39-29-54(30-40-61)16-8-6-2)71-23-13-19-57-17-9-11-21-65(57)71/h9-14,17-50H,5-8,15-16H2,1-4H3
InChIKeyWGJUDJHXXIHQEK-UHFFFAOYSA-N
XLogP20.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500969.33
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(4-butyl-N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 147833739
N-[4-[4-(N-[4-(4-butylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 134376558
4-(4-tert-butylphenyl)-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-N-[4-[7,9,9-tris(4-hexylphenyl)fluoren-2-yl]phenyl]aniline
CID 58556150
4-N,4-N-bis[4-(4-butylphenyl)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;4-N,4-N-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine;2-N,6-N-bis(4-methylphenyl)-2-N,6-N-dinaphthalen-1-ylnaphthalene-2,6-diamine;2-N,7-N-bis(4-methylphenyl)-2-N,7-N-dinaphthalen-1-ylphenanthrene-2,7-diamine;4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-methyl-N-(4-methylphenyl)-N-[4-(6-phenanthren-2-ylnaphthalen-2-yl)phenyl]aniline
CID 162053979
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[(4-ethenylphenyl)methyl]fluoren-2-yl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine;2-N,7-N-bis[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;9-[(4-ethenylphenyl)methyl]-N-[4-[4-[4-[[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylfluoren-2-amine;9-[(4-ethenylphenyl)methyl]-N-[4-[4-[4-(N-[9-[(4-ethenylphenyl)methyl]-9-phenylfluoren-2-yl]-4-phenylanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160830965
N-[4-[4-[bis(9,9-dibutyl-7-methylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 177287838
4-tert-butyl-N-[4-[4-[N-(4-tert-butyl-2,6-dimethylphenyl)-4-[7-methyl-9,9-bis(4-octylphenyl)fluoren-2-yl]anilino]phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline
CID 88862267
4-tert-butyl-N-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]-2,6-dimethylaniline
CID 140553755
N-(4-hexylphenyl)-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-2-yl]-9-phenylfluoren-2-amine
CID 177067093
4-tert-butyl-N-[4-[4-[4-[4-(4-tert-butyl-N-(4-tert-butyl-2,6-dimethylphenyl)anilino)phenyl]-N-[4-[9-(4-hexylphenyl)-2,7-dimethylfluoren-9-yl]phenyl]anilino]phenyl]phenyl]-N-(4-tert-butylphenyl)-2,6-dimethylaniline
CID 140553747
12,20-bis(4-butylphenyl)-8,16,16,24-tetramethyl-5,5,27,27-tetrakis(4-methylphenyl)-12,20-diazaheptacyclo[15.12.0.02,15.04,13.06,11.019,28.021,26]nonacosa-1(29),2,4(13),6(11),7,9,14,17,19(28),21(26),22,24-dodecaene;N-(4-butylphenyl)-N-[4-[4-(N-(4-butylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline;2,7,9,9-tetramethylfluorene
CID 160577625
9-[4-[9,9-bis(4-hexylphenyl)-7-[4-[10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-10-(4-naphthalen-1-ylnaphthalen-1-yl)anthracene
CID 163597149

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The IUPAC name of 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine (CID 59480577) is 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is CCCCc1ccc(-c2ccc(C3(c4ccc(N(c5ccc(N(c6ccc(CCCC)cc6)c6cccc7ccccc67)cc5)c5cccc6ccccc56)cc4)c4cc(C)ccc4-c4ccc(C)cc43)cc2)cc1.
What is the InChIKey of 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
The InChIKey is WGJUDJHXXIHQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H64N2/c1-5-7-15-53-27-31-55(32-28-53)56-33-35-59(36-34-56)73(69-49-51(3)25-47-67(69)68-48-26-52(4)50-70(68)73)60-37-41-62(42-38-60)75(72-24-14-20-58-18-10-12-22-66(58)72)64-45-43-63(44-46-64)74(61-39-29-54(30-40-61)16-8-6-2)71-23-13-19-57-17-9-11-21-65(57)71/h9-14,17-50H,5-8,15-16H2,1-4H3.
What are the key properties of 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine?
1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine has a molecular weight of 969.33 g/mol, XLogP of 20.26, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-butylphenyl)-4-N-[4-[9-[4-(4-butylphenyl)phenyl]-2,7-dimethylfluoren-9-yl]phenyl]-1-N,4-N-dinaphthalen-1-ylbenzene-1,4-diamine is sourced from PubChem (CID 59480577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).