N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C59H53N — CID 144821282

IUPACN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(C3(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)C(/C=C\CC)=C(C)c4ccccc43)ccc21
InChIInChI=1S/C59H53N/c1-7-9-24-55-41(3)52-23-16-17-25-56(52)59(55,48-32-39-54-53(18-8-2)42(4)58(5,6)57(54)40-48)47-30-37-51(38-31-47)60(49-33-26-45(27-34-49)43-19-12-10-13-20-43)50-35-28-46(29-36-50)44-21-14-11-15-22-44/h8-40H,7H2,1-6H3/b18-8-,24-9-
InChIKeyAFGXHMYYWCXDNQ-AZBKREFBSA-N
MW776.08 g/mol
LogP16.22
Rot. Bonds10

About N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 144821282) has the molecular formula C59H53N and a molecular weight of 776.08 g/mol. Its IUPAC name is N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID144821282
Molecular FormulaC59H53N
Molecular Weight776.08 g/mol
Exact Mass775.42
IUPAC NameN-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(C3(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)C(/C=C\CC)=C(C)c4ccccc43)ccc21
InChIInChI=1S/C59H53N/c1-7-9-24-55-41(3)52-23-16-17-25-56(52)59(55,48-32-39-54-53(18-8-2)42(4)58(5,6)57(54)40-48)47-30-37-51(38-31-47)60(49-33-26-45(27-34-49)43-19-12-10-13-20-43)50-35-28-46(29-36-50)44-21-14-11-15-22-44/h8-40H,7H2,1-6H3/b18-8-,24-9-
InChIKeyAFGXHMYYWCXDNQ-AZBKREFBSA-N
XLogP16.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.08
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

2'-[(Z)-but-1-enyl]-N,N-bis(9,9-dimethylfluoren-2-yl)-3',4',4'-trimethylspiro[fluorene-9,1'-naphthalene]-3-amine
CID 142481330
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-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 174150949
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
N-[4-(9,9-diphenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 126548554
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',7-N',7-N'-tris(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 58084629
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-3-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175618041
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142481064
N-[4-[(2E,4Z)-hepta-2,4-dien-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 156821317

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 144821282) is N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C/C=C\C1=C(C)C(C)(C)c2cc(C3(c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc4)C(/C=C\CC)=C(C)c4ccccc43)ccc21.
What is the InChIKey of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is AFGXHMYYWCXDNQ-AZBKREFBSA-N. The full InChI is InChI=1S/C59H53N/c1-7-9-24-55-41(3)52-23-16-17-25-56(52)59(55,48-32-39-54-53(18-8-2)42(4)58(5,6)57(54)40-48)47-30-37-51(38-31-47)60(49-33-26-45(27-34-49)43-19-12-10-13-20-43)50-35-28-46(29-36-50)44-21-14-11-15-22-44/h8-40H,7H2,1-6H3/b18-8-,24-9-.
What are the key properties of N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 776.08 g/mol, XLogP of 16.22, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(Z)-but-1-enyl]-3-methyl-1-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]inden-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 144821282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).