4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline

C61H42N4O4 — CID 130251893

IUPAC4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(C2(c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C61H42N4O4/c66-64(67)55-35-27-47(28-36-55)61(48-29-37-56(38-30-48)65(68)69)59-41-45(43-21-31-53(32-22-43)62(49-13-5-1-6-14-49)50-15-7-2-8-16-50)25-39-57(59)58-40-26-46(42-60(58)61)44-23-33-54(34-24-44)63(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-42H
InChIKeyIQQKLDUOACMTHC-UHFFFAOYSA-N
MW895.03 g/mol
LogP16.14
Rot. Bonds12

About 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline

4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline (PubChem CID 130251893) has the molecular formula C61H42N4O4 and a molecular weight of 895.03 g/mol. Its IUPAC name is 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
PubChem CID130251893
Molecular FormulaC61H42N4O4
Molecular Weight895.03 g/mol
Exact Mass894.32
IUPAC Name4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline
SMILESO=[N+]([O-])c1ccc(C2(c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1
InChIInChI=1S/C61H42N4O4/c66-64(67)55-35-27-47(28-36-55)61(48-29-37-56(38-30-48)65(68)69)59-41-45(43-21-31-53(32-22-43)62(49-13-5-1-6-14-49)50-15-7-2-8-16-50)25-39-57(59)58-40-26-46(42-60(58)61)44-23-33-54(34-24-44)63(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-42H
InChIKeyIQQKLDUOACMTHC-UHFFFAOYSA-N
XLogP16.14
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.03
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,7'-dinitro-2-N,2-N,2-N',2-N'-tetraphenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 101481750
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-[4-[9-(2-bromophenyl)-2,7-diphenylfluoren-9-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122537250
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N,4-diphenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 122452266
N-[4-[9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 90274459
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 58988737
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902

Frequently Asked Questions

What is the IUPAC name of 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline (CID 130251893) is 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline is O=[N+]([O-])c1ccc(C2(c3ccc([N+](=O)[O-])cc3)c3cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc3-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)cc32)cc1.
What is the InChIKey of 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?
The InChIKey is IQQKLDUOACMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N4O4/c66-64(67)55-35-27-47(28-36-55)61(48-29-37-56(38-30-48)65(68)69)59-41-45(43-21-31-53(32-22-43)62(49-13-5-1-6-14-49)50-15-7-2-8-16-50)25-39-57(59)58-40-26-46(42-60(58)61)44-23-33-54(34-24-44)63(51-17-9-3-10-18-51)52-19-11-4-12-20-52/h1-42H.
What are the key properties of 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline?
4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline has a molecular weight of 895.03 g/mol, XLogP of 16.14, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9,9-bis(4-nitrophenyl)-7-[4-(N-phenylanilino)phenyl]fluoren-2-yl]-N,N-diphenylaniline is sourced from PubChem (CID 130251893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).