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

C74H68N4O2 — CID 166881221

IUPAC5-[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
SMILESC=CC1=C(/C=C(\C)N(c2ccccc2)c2ccccc2)C(C)(C)c2cc(-c3ccc(/C=N/CC(C)(C)C/N=C/c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4O)c(O)c3)ccc21
InChIInChI=1S/C74H68N4O2/c1-9-62-63-37-34-51(41-67(63)73(5,6)66(62)40-50(2)77(57-22-14-10-15-23-57)58-24-16-11-17-25-58)53-30-32-55(70(79)43-53)46-75-48-72(3,4)49-76-47-56-33-31-54(44-71(56)80)52-35-38-64-65-39-36-61(45-69(65)74(7,8)68(64)42-52)78(59-26-18-12-19-27-59)60-28-20-13-21-29-60/h9-47,79-80H,1,48-49H2,2-8H3/b50-40+,75-46+,76-47+
InChIKeyCGKSDQRKNHHDTI-XDMFFZTRSA-N
MW1045.38 g/mol
LogP18.75
Rot. Bonds16

About 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

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 (PubChem CID 166881221) has the molecular formula C74H68N4O2 and a molecular weight of 1045.38 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID166881221
Molecular FormulaC74H68N4O2
Molecular Weight1045.38 g/mol
Exact Mass1044.53
IUPAC Name5-[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
SMILESC=CC1=C(/C=C(\C)N(c2ccccc2)c2ccccc2)C(C)(C)c2cc(-c3ccc(/C=N/CC(C)(C)C/N=C/c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4O)c(O)c3)ccc21
InChIInChI=1S/C74H68N4O2/c1-9-62-63-37-34-51(41-67(63)73(5,6)66(62)40-50(2)77(57-22-14-10-15-23-57)58-24-16-11-17-25-58)53-30-32-55(70(79)43-53)46-75-48-72(3,4)49-76-47-56-33-31-54(44-71(56)80)52-35-38-64-65-39-36-61(45-69(65)74(7,8)68(64)42-52)78(59-26-18-12-19-27-59)60-28-20-13-21-29-60/h9-47,79-80H,1,48-49H2,2-8H3/b50-40+,75-46+,76-47+
InChIKeyCGKSDQRKNHHDTI-XDMFFZTRSA-N
XLogP18.75
TPSA71.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.38
LogP ≤ 518.75
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-[1-ethenyl-3,3-dimethyl-2-[(E)-2-(N-phenylanilino)prop-1-enyl]inden-5-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-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
CID 146268078
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
1,3,3,9,9-pentamethyl-N,N-diphenyl-2-[(1E)-2-(N-phenylanilino)buta-1,3-dienyl]cyclopenta[b]fluoren-7-amine
CID 89049791
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
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
2-N,2-N,7-N,7-N-tetrakis(9,9-dimethyl-7-phenylfluoren-2-yl)-9,9-dimethylfluorene-2,7-diamine
CID 20759573
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
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-[(E)-hept-2-en-2-yl]amino]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 144600911
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(3-ethenylphenyl)-9,9-dimethyl-2-N,7-N-bis[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
CID 58113612

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC1=C(/C=C(\C)N(c2ccccc2)c2ccccc2)C(C)(C)c2cc(-c3ccc(/C=N/CC(C)(C)C/N=C/c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(N(c7ccccc7)c7ccccc7)ccc5-6)cc4O)c(O)c3)ccc21.
What is the InChIKey of 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?
The InChIKey is CGKSDQRKNHHDTI-XDMFFZTRSA-N. The full InChI is InChI=1S/C74H68N4O2/c1-9-62-63-37-34-51(41-67(63)73(5,6)66(62)40-50(2)77(57-22-14-10-15-23-57)58-24-16-11-17-25-58)53-30-32-55(70(79)43-53)46-75-48-72(3,4)49-76-47-56-33-31-54(44-71(56)80)52-35-38-64-65-39-36-61(45-69(65)74(7,8)68(64)42-52)78(59-26-18-12-19-27-59)60-28-20-13-21-29-60/h9-47,79-80H,1,48-49H2,2-8H3/b50-40+,75-46+,76-47+.
What are the key properties of 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?
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 has a molecular weight of 1045.38 g/mol, XLogP of 18.75, 16 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-[1-ethenyl-3,3-dimethyl-2-[(E)-2-(N-phenylanilino)prop-1-enyl]inden-5-yl]-2-hydroxyphenyl]methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is sourced from PubChem (CID 166881221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).