diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine

C47H43N3 — CID 142425063

IUPACdiphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine
SMILESC=Nc1c(/C=C\C)cccc1-c1ccc(-c2ccc3ccc(C)cc3c2)cc1.Cc1ccc(N)cc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N.C13H11N.C7H9N/c1-4-6-23-7-5-8-26(27(23)28-3)22-14-11-20(12-15-22)24-16-13-21-10-9-19(2)17-25(21)18-24;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(8)5-3-6/h4-18H,3H2,1-2H3;1-10,14H;2-5H,8H2,1H3/b6-4-;;
InChIKeyKOLKTWJKCYCOJW-XFUGJFOESA-N
MW649.88 g/mol
LogP12.53
Rot. Bonds6

About diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine

diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine (PubChem CID 142425063) has the molecular formula C47H43N3 and a molecular weight of 649.88 g/mol. Its IUPAC name is diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine.

Molecular Properties

Compound Namediphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine
PubChem CID142425063
Molecular FormulaC47H43N3
Molecular Weight649.88 g/mol
Exact Mass649.35
IUPAC Namediphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine
SMILESC=Nc1c(/C=C\C)cccc1-c1ccc(-c2ccc3ccc(C)cc3c2)cc1.Cc1ccc(N)cc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N.C13H11N.C7H9N/c1-4-6-23-7-5-8-26(27(23)28-3)22-14-11-20(12-15-22)24-16-13-21-10-9-19(2)17-25(21)18-24;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(8)5-3-6/h4-18H,3H2,1-2H3;1-10,14H;2-5H,8H2,1H3/b6-4-;;
InChIKeyKOLKTWJKCYCOJW-XFUGJFOESA-N
XLogP12.53
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.88
LogP ≤ 512.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Xylidine
CID 56846457
N-(9-Anthracenylmethylene)-P-toluidine
CID 4231994
3-Aminobenzo(a)pyrene
CID 127094
1-Aminobenzo(a)pyrene
CID 124834
4,4,4,4-(1,3,6,8-Pyrenetetrayl)tetrakis[benzenamine]
CID 101573330
4,4',4'',4'''-(Pyrene-1,3,6,8-tetrayltetrakis(ethyne-2,1-diyl))tetraaniline
CID 145926290
1-Naphthamidine, N-p-tolyl-
CID 32003
N-(9-Anthracenylmethylene)-2,4,6-trimethylaniline
CID 4644899
Decidium
CID 129883
4-[[4-[(4-Cyanonaphthalen-1-yl)iminomethyl]phenyl]methylideneamino]naphthalene-1-carbonitrile
CID 11750882
1-naphthalen-1-yl-N-(4-phenylphenyl)methanimine
CID 145968286
4-Aminobenzo(a)pyrene
CID 54878

Frequently Asked Questions

What is the IUPAC name of diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine?
The IUPAC name of diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine (CID 142425063) is diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine.
What is the SMILES notation for diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine?
The canonical SMILES for diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine is C=Nc1c(/C=C\C)cccc1-c1ccc(-c2ccc3ccc(C)cc3c2)cc1.Cc1ccc(N)cc1.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine?
The InChIKey is KOLKTWJKCYCOJW-XFUGJFOESA-N. The full InChI is InChI=1S/C27H23N.C13H11N.C7H9N/c1-4-6-23-7-5-8-26(27(23)28-3)22-14-11-20(12-15-22)24-16-13-21-10-9-19(2)17-25(21)18-24;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-6-2-4-7(8)5-3-6/h4-18H,3H2,1-2H3;1-10,14H;2-5H,8H2,1H3/b6-4-;;.
What are the key properties of diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine?
diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine has a molecular weight of 649.88 g/mol, XLogP of 12.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanimine;4-methylaniline;N-[2-[4-(7-methylnaphthalen-2-yl)phenyl]-6-[(Z)-prop-1-enyl]phenyl]methanimine is sourced from PubChem (CID 142425063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).