5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

C73H64N4O2 — CID 146268078

IUPAC5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCC(C)(C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O)C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O
InChIInChI=1S/C73H64N4O2/c1-71(2,47-74-45-53-29-27-51(41-69(53)78)49-31-35-61-63-37-33-59(43-67(63)72(3,4)65(61)39-49)76(55-19-11-7-12-20-55)56-21-13-8-14-22-56)48-75-46-54-30-28-52(42-70(54)79)50-32-36-62-64-38-34-60(44-68(64)73(5,6)66(62)40-50)77(57-23-15-9-16-24-57)58-25-17-10-18-26-58/h7-46,78-79H,47-48H2,1-6H3/b74-45+,75-46+
InChIKeyIXCATNKXDXMJLK-GUZWWCLSSA-N
MW1029.34 g/mol
LogP18.55
Rot. Bonds14

About 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (PubChem CID 146268078) has the molecular formula C73H64N4O2 and a molecular weight of 1029.34 g/mol. Its IUPAC name is 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Name5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
PubChem CID146268078
Molecular FormulaC73H64N4O2
Molecular Weight1029.34 g/mol
Exact Mass1028.50
IUPAC Name5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCC(C)(C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O)C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O
InChIInChI=1S/C73H64N4O2/c1-71(2,47-74-45-53-29-27-51(41-69(53)78)49-31-35-61-63-37-33-59(43-67(63)72(3,4)65(61)39-49)76(55-19-11-7-12-20-55)56-21-13-8-14-22-56)48-75-46-54-30-28-52(42-70(54)79)50-32-36-62-64-38-34-60(44-68(64)73(5,6)66(62)40-50)77(57-23-15-9-16-24-57)58-25-17-10-18-26-58/h7-46,78-79H,47-48H2,1-6H3/b74-45+,75-46+
InChIKeyIXCATNKXDXMJLK-GUZWWCLSSA-N
XLogP18.55
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.34
LogP ≤ 518.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol with MolForge

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Related Compounds

5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[1-ethenyl-3,3-dimethyl-2-[(E)-2-(N-phenylanilino)prop-1-enyl]inden-5-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 166881221
5-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-[[3-[[4-[2,6-diphenyl-4-(N-phenylanilino)phenyl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 146268095
9,9-dimethyl-7-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118428445
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 118428449
7-[5-[5-[5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 102025534
1-[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]phenyl]-2,2,2-trifluoroethanone
CID 132534913
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
2-N,7-N-bis[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 23561352
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487

Frequently Asked Questions

What is the IUPAC name of 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The IUPAC name of 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (CID 146268078) is 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.
What is the SMILES notation for 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The canonical SMILES for 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is CC(C)(C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O)C/N=C/c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4ccccc4)ccc2-3)cc1O.
What is the InChIKey of 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The InChIKey is IXCATNKXDXMJLK-GUZWWCLSSA-N. The full InChI is InChI=1S/C73H64N4O2/c1-71(2,47-74-45-53-29-27-51(41-69(53)78)49-31-35-61-63-37-33-59(43-67(63)72(3,4)65(61)39-49)76(55-19-11-7-12-20-55)56-21-13-8-14-22-56)48-75-46-54-30-28-52(42-70(54)79)50-32-36-62-64-38-34-60(44-68(64)73(5,6)66(62)40-50)77(57-23-15-9-16-24-57)58-25-17-10-18-26-58/h7-46,78-79H,47-48H2,1-6H3/b74-45+,75-46+.
What are the key properties of 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol has a molecular weight of 1029.34 g/mol, XLogP of 18.55, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-[[3-[[4-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is sourced from PubChem (CID 146268078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).