(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine

C28H29N — CID 134321166

IUPAC(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine
SMILESC/C=C\C=C1/Cc2ccc(N(C)c3ccc(-c4ccccc4)cc3)cc2C1(C)C
InChIInChI=1S/C28H29N/c1-5-6-12-24-19-23-15-18-26(20-27(23)28(24,2)3)29(4)25-16-13-22(14-17-25)21-10-8-7-9-11-21/h5-18,20H,19H2,1-4H3/b6-5-,24-12+
InChIKeyDIXFOGKFPGEWIG-UUBWFESCSA-N
MW379.55 g/mol
LogP7.46
Rot. Bonds4

About (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine

(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine (PubChem CID 134321166) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine
PubChem CID134321166
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine
SMILESC/C=C\C=C1/Cc2ccc(N(C)c3ccc(-c4ccccc4)cc3)cc2C1(C)C
InChIInChI=1S/C28H29N/c1-5-6-12-24-19-23-15-18-26(20-27(23)28(24,2)3)29(4)25-16-13-22(14-17-25)21-10-8-7-9-11-21/h5-18,20H,19H2,1-4H3/b6-5-,24-12+
InChIKeyDIXFOGKFPGEWIG-UUBWFESCSA-N
XLogP7.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9-diphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-methyl-9,9'-spirobi[fluorene]-2-amine;N-methyl-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-methyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160501887
N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 166028530
N-methyl-N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 70891401
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N,9,9-trimethyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166028533
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-N-methyl-4-phenylaniline
CID 135243485
1-N-(9,9-dimethylfluoren-2-yl)-1-N-methyl-4-N,4-N-diphenylnaphthalene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)naphthalene-1,4-diamine;N-methyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 158675579
[(3Z,5Z)-hepta-1,3,5-trien-2-yl]benzene;N-methyl-4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 143067180
1-N-[3-(9H-fluoren-3-yl)phenyl]-1-N-methyl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 121465238
4-N-[4-[4-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-methylanilino]phenyl]phenyl]-1-N-[4-(4-methylphenyl)phenyl]-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58250924

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine (CID 134321166) is (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine is C/C=C\C=C1/Cc2ccc(N(C)c3ccc(-c4ccccc4)cc3)cc2C1(C)C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine?
The InChIKey is DIXFOGKFPGEWIG-UUBWFESCSA-N. The full InChI is InChI=1S/C28H29N/c1-5-6-12-24-19-23-15-18-26(20-27(23)28(24,2)3)29(4)25-16-13-22(14-17-25)21-10-8-7-9-11-21/h5-18,20H,19H2,1-4H3/b6-5-,24-12+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine?
(2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine has a molecular weight of 379.55 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-N,3,3-trimethyl-N-(4-phenylphenyl)-1H-inden-5-amine is sourced from PubChem (CID 134321166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).