4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline

C57H47N — CID 146631311

IUPAC4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESC/C=C\C(=C(/C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C57H47N/c1-5-17-50(40(2)46-30-36-53-52-24-15-16-25-55(52)57(3,4)56(53)38-46)51-37-35-49(39-54(51)45-22-13-8-14-23-45)58(47-31-26-43(27-32-47)41-18-9-6-10-19-41)48-33-28-44(29-34-48)42-20-11-7-12-21-42/h5-39H,1-4H3/b17-5-,50-40-
InChIKeyAUINDEJVNAUHAW-WFAKENCXSA-N
MW746.01 g/mol
LogP15.97
Rot. Bonds9

About 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline

4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline (PubChem CID 146631311) has the molecular formula C57H47N and a molecular weight of 746.01 g/mol. Its IUPAC name is 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline.

Molecular Properties

Compound Name4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
PubChem CID146631311
Molecular FormulaC57H47N
Molecular Weight746.01 g/mol
Exact Mass745.37
IUPAC Name4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline
SMILESC/C=C\C(=C(/C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C57H47N/c1-5-17-50(40(2)46-30-36-53-52-24-15-16-25-55(52)57(3,4)56(53)38-46)51-37-35-49(39-54(51)45-22-13-8-14-23-45)58(47-31-26-43(27-32-47)41-18-9-6-10-19-41)48-33-28-44(29-34-48)42-20-11-7-12-21-42/h5-39H,1-4H3/b17-5-,50-40-
InChIKeyAUINDEJVNAUHAW-WFAKENCXSA-N
XLogP15.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.01
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline 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

N-[3,4-bis(4-phenylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134198401
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 158242505
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-2-phenylphenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 137389722
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
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-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156578688
diethyl 2-[2-[4-[N-(9,9-dimethylfluoren-2-yl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]anilino]phenyl]phenyl]-5-phenylbenzene-1,4-dicarboxylate
CID 167199807
9,9-dimethyl-N-(4-methylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 118146352

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The IUPAC name of 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline (CID 146631311) is 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline.
What is the SMILES notation for 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The canonical SMILES for 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline is C/C=C\C(=C(/C)c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
The InChIKey is AUINDEJVNAUHAW-WFAKENCXSA-N. The full InChI is InChI=1S/C57H47N/c1-5-17-50(40(2)46-30-36-53-52-24-15-16-25-55(52)57(3,4)56(53)38-46)51-37-35-49(39-54(51)45-22-13-8-14-23-45)58(47-31-26-43(27-32-47)41-18-9-6-10-19-41)48-33-28-44(29-34-48)42-20-11-7-12-21-42/h5-39H,1-4H3/b17-5-,50-40-.
What are the key properties of 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline?
4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline has a molecular weight of 746.01 g/mol, XLogP of 15.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-2-(9,9-dimethylfluoren-2-yl)hexa-2,4-dien-3-yl]-3-phenyl-N,N-bis(4-phenylphenyl)aniline is sourced from PubChem (CID 146631311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).