N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide

C31H36N2 — CID 167210755

IUPACN'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
SMILESC=CC1=C(/C=C\C)c2ccc(C(=C)/N=C(\N=C(/C)C(C)CC)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C31H36N2/c1-9-15-26-27-19-18-25(20-29(27)31(7,8)28(26)11-3)23(6)33-30(24-16-13-12-14-17-24)32-22(5)21(4)10-2/h9,11-21H,3,6,10H2,1-2,4-5,7-8H3/b15-9-,32-22+,33-30-
InChIKeyVSLAWILFHBILQD-ADOKQTCSSA-N
MW436.64 g/mol
LogP8.42
Rot. Bonds7

About N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide

N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide (PubChem CID 167210755) has the molecular formula C31H36N2 and a molecular weight of 436.64 g/mol. Its IUPAC name is N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
PubChem CID167210755
Molecular FormulaC31H36N2
Molecular Weight436.64 g/mol
Exact Mass436.29
IUPAC NameN'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide
SMILESC=CC1=C(/C=C\C)c2ccc(C(=C)/N=C(\N=C(/C)C(C)CC)c3ccccc3)cc2C1(C)C
InChIInChI=1S/C31H36N2/c1-9-15-26-27-19-18-25(20-29(27)31(7,8)28(26)11-3)23(6)33-30(24-16-13-12-14-17-24)32-22(5)21(4)10-2/h9,11-21H,3,6,10H2,1-2,4-5,7-8H3/b15-9-,32-22+,33-30-
InChIKeyVSLAWILFHBILQD-ADOKQTCSSA-N
XLogP8.42
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[3-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]phenyl]-2,6-diphenylpyrimidine
CID 134274559
2-ethenyl-1,1-dimethyl-5-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-3-[(Z)-prop-1-enyl]indene;toluene
CID 153369703
N-[4-(9H-carbazol-3-yl)phenyl]-2-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426312
3-ethenyl-1,1-dimethyl-6-propan-2-yl-2-[(Z)-prop-1-enyl]indene;[(3E)-hexa-1,3,5-trien-3-yl]benzene
CID 153369602
2-ethenyl-1-methyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 177033619
ethane;2-ethenyl-N-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-amine
CID 153374290
ethane;2-ethenyl-1-ethyl-1-propan-2-yl-3-[(Z)-prop-1-enyl]indene
CID 176927954
ethane;2-ethenyl-3,3-dimethyl-N-[4-(3-methyl-1H-indol-5-yl)phenyl]-N-(4-phenylphenyl)-1-[(Z)-prop-1-enyl]inden-5-amine
CID 145426280
5,6-bis(ethenyl)-2-[[6-[(1Z,3Z,5Z)-6-[[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]amino]-5-phenylhexa-1,3,5-trienyl]naphthalen-2-yl]methylidene]indene-1,3-dione
CID 144559149
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
2,3-bis(ethenyl)-1,1-dimethylindene
CID 123900265
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-difluoro-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]fluorene-2-carboximidamide
CID 135247116

Frequently Asked Questions

What is the IUPAC name of N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide?
The IUPAC name of N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide (CID 167210755) is N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide.
What is the SMILES notation for N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide?
The canonical SMILES for N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide is C=CC1=C(/C=C\C)c2ccc(C(=C)/N=C(\N=C(/C)C(C)CC)c3ccccc3)cc2C1(C)C.
What is the InChIKey of N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide?
The InChIKey is VSLAWILFHBILQD-ADOKQTCSSA-N. The full InChI is InChI=1S/C31H36N2/c1-9-15-26-27-19-18-25(20-29(27)31(7,8)28(26)11-3)23(6)33-30(24-16-13-12-14-17-24)32-22(5)21(4)10-2/h9,11-21H,3,6,10H2,1-2,4-5,7-8H3/b15-9-,32-22+,33-30-.
What are the key properties of N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide?
N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide has a molecular weight of 436.64 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[2-ethenyl-3,3-dimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-N-(3-methylpentan-2-ylidene)benzenecarboximidamide is sourced from PubChem (CID 167210755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).