(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine

C40H35N3 — CID 142925758

IUPAC(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine
SMILESC/C=C\c1c(C)n(-c2ccc(-c3ccc(C(/C=C(\N)c4ccccc4)=N\Cc4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H35N3/c1-3-12-36-29(2)43(40-18-11-10-17-37(36)40)35-25-23-32(24-26-35)31-19-21-34(22-20-31)39(42-28-30-13-6-4-7-14-30)27-38(41)33-15-8-5-9-16-33/h3-27H,28,41H2,1-2H3/b12-3-,38-27-,42-39-
InChIKeyOJUNHJQWGJZAIT-YHUMKNOGSA-N
MW557.74 g/mol
LogP9.63
Rot. Bonds8

About (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine

(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine (PubChem CID 142925758) has the molecular formula C40H35N3 and a molecular weight of 557.74 g/mol. Its IUPAC name is (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine
PubChem CID142925758
Molecular FormulaC40H35N3
Molecular Weight557.74 g/mol
Exact Mass557.28
IUPAC Name(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine
SMILESC/C=C\c1c(C)n(-c2ccc(-c3ccc(C(/C=C(\N)c4ccccc4)=N\Cc4ccccc4)cc3)cc2)c2ccccc12
InChIInChI=1S/C40H35N3/c1-3-12-36-29(2)43(40-18-11-10-17-37(36)40)35-25-23-32(24-26-35)31-19-21-34(22-20-31)39(42-28-30-13-6-4-7-14-30)27-38(41)33-15-8-5-9-16-33/h3-27H,28,41H2,1-2H3/b12-3-,38-27-,42-39-
InChIKeyOJUNHJQWGJZAIT-YHUMKNOGSA-N
XLogP9.63
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 59.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
N-[4-[4-[3-[(Z)-but-1-enyl]-2-methylindol-1-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 167139489
10-[3-(4-carbazol-9-ylphenyl)-5-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-9,9-dimethylacridine;ethane
CID 142935422
4-N-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 137384769
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528
2,4-dimethyl-1-phenyl-3-prop-1-enylindole
CID 123318372
ethane;(1Z,3E,6Z,7Z)-6-ethylidene-1-phenyl-3-[4-(4-phenyl-4,19-diazaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaen-19-yl)phenyl]nona-1,3,7-trien-1-amine
CID 142289966
(Z)-3-benzylimino-1-[4-[4-[2-(3,5-diphenylphenyl)-4-phenylfuro[3,2-c]quinolin-3-yl]phenyl]phenyl]-3-phenylprop-1-en-1-amine
CID 164716514
N-[4-[4-[3-[(Z)-but-1-en-3-ynyl]-2-methylindol-1-yl]phenyl]phenyl]-N-methyl-4-phenylaniline
CID 145302967
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-(11-hydroxy-10,12-diphenylindolo[3,2-c]carbazol-5-yl)benzenecarboximidamide
CID 145268808
N'-benzyl-3-[6,7-dimethyl-5,8-bis[(Z)-prop-1-enyl]naphthalen-2-yl]-5-[4-[(3E)-hepta-1,3-dien-3-yl]phenyl]benzenecarboximidamide;ethene;ethylbenzene
CID 144775544
N'-[(Z)-1-[3-(4-carbazol-9-ylphenyl)phenyl]-3-phenylprop-1-enyl]benzenecarboximidamide
CID 143099604

Frequently Asked Questions

What is the IUPAC name of (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine?
The IUPAC name of (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine (CID 142925758) is (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine is C/C=C\c1c(C)n(-c2ccc(-c3ccc(C(/C=C(\N)c4ccccc4)=N\Cc4ccccc4)cc3)cc2)c2ccccc12.
What is the InChIKey of (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine?
The InChIKey is OJUNHJQWGJZAIT-YHUMKNOGSA-N. The full InChI is InChI=1S/C40H35N3/c1-3-12-36-29(2)43(40-18-11-10-17-37(36)40)35-25-23-32(24-26-35)31-19-21-34(22-20-31)39(42-28-30-13-6-4-7-14-30)27-38(41)33-15-8-5-9-16-33/h3-27H,28,41H2,1-2H3/b12-3-,38-27-,42-39-.
What are the key properties of (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine?
(Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine has a molecular weight of 557.74 g/mol, XLogP of 9.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-benzylimino-3-[4-[4-[2-methyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-1-phenylprop-1-en-1-amine is sourced from PubChem (CID 142925758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).