(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide

C53H54N4 — CID 145007207

IUPAC(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide
SMILESC=C/N=C/c1c(C)c2c3c(ccc2n1-c1ccc(C)c(C(=C/C(=N/C(=C)c2ccccc2)NC(C)c2ccccc2)/C(C)=C\C=C/C)c1)C1=C(C=CCC1)C3(C)C
InChIInChI=1S/C53H54N4/c1-10-12-21-35(3)46(33-50(55-38(6)40-22-15-13-16-23-40)56-39(7)41-24-17-14-18-25-41)45-32-42(29-28-36(45)4)57-48-31-30-44-43-26-19-20-27-47(43)53(8,9)52(44)51(48)37(5)49(57)34-54-11-2/h10-18,20-25,27-34,39H,2,6,19,26H2,1,3-5,7-9H3,(H,55,56)/b12-10-,35-21-,46-33?,54-34+
InChIKeyFYAXKEFUGCBGIP-LKMSGAGOSA-N
MW747.04 g/mol
LogP13.53
Rot. Bonds11

About (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide

(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide (PubChem CID 145007207) has the molecular formula C53H54N4 and a molecular weight of 747.04 g/mol. Its IUPAC name is (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide.

Molecular Properties

Compound Name(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide
PubChem CID145007207
Molecular FormulaC53H54N4
Molecular Weight747.04 g/mol
Exact Mass746.43
IUPAC Name(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide
SMILESC=C/N=C/c1c(C)c2c3c(ccc2n1-c1ccc(C)c(C(=C/C(=N/C(=C)c2ccccc2)NC(C)c2ccccc2)/C(C)=C\C=C/C)c1)C1=C(C=CCC1)C3(C)C
InChIInChI=1S/C53H54N4/c1-10-12-21-35(3)46(33-50(55-38(6)40-22-15-13-16-23-40)56-39(7)41-24-17-14-18-25-41)45-32-42(29-28-36(45)4)57-48-31-30-44-43-26-19-20-27-47(43)53(8,9)52(44)51(48)37(5)49(57)34-54-11-2/h10-18,20-25,27-34,39H,2,6,19,26H2,1,3-5,7-9H3,(H,55,56)/b12-10-,35-21-,46-33?,54-34+
InChIKeyFYAXKEFUGCBGIP-LKMSGAGOSA-N
XLogP13.53
TPSA41.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.04
LogP ≤ 513.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide with MolForge

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Related Compounds

N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
9-[1-[2-cyclopropyl-3-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]-1-phenylpropan-2-yl]-5,7,7-trimethyl-3,4-dihydrobenzo[c]fluorene
CID 144614091
N'-[(3E,5Z)-3-ethenylhepta-1,3,5-trien-2-yl]-N-(1-phenylethylidene)-6-propan-2-yl-9H-fluorene-1-carboximidamide
CID 156706370
N-[amino(cyclohexa-1,5-dien-1-yl)methylidene]-N'-[1-[3-[1-[[[[amino-(6-spiro[cyclohexane-1,9'-fluorene]-4'-ylcyclohexa-1,5-dien-1-yl)methylidene]amino]-phenylmethylidene]amino]ethenyl]-4-methylphenyl]ethyl]benzenecarboximidamide
CID 174298910
(3Z)-5-methyl-N-(1-phenylethyl)hexa-1,3,5-trien-2-amine
CID 143769400
2-[(3E,5Z)-hepta-3,5-dien-1-yn-3-yl]-3-methyl-N-(1-phenylethylidene)-N'-[1-[1,12,12-trimethyl-2-(4'-methylspiro[2,3-dihydrofluorene-9,9'-fluorene]-3'-yl)indeno[2,1-a]carbazol-11-yl]ethenyl]benzenecarboximidamide
CID 145017021
ethane;1-(2-methylacenaphthylen-1-yl)-1-[3-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]-N-(1-phenylethenyl)methanimine;prop-1-ene
CID 144820855
N-[1-(7-ethylspiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl)ethenyl]-1-[2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]benzimidazol-1-yl]ethanimine
CID 166990801
(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
1-ethenyl-6,6,11,11-tetramethyl-2-[(Z)-prop-1-enyl]-7,8-dihydro-3H-cyclopenta[a]anthracene;phenyl-(4-propan-2-ylphenyl)methanone
CID 145449917
9,9-dimethyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N'-(1-phenylethenyl)-N-(1-phenylethylidene)xanthene-4-carboximidamide
CID 144782124
3-cyclohexa-1,5-dien-1-yl-6-[(2Z,3Z)-3-ethylidene-1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-2-[(5Z,7Z)-4-methylidenenona-1,5,7-trien-3-ylidene]indol-7-yl]-1-methyl-9-phenylcarbazole
CID 145109894

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide?
The IUPAC name of (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide (CID 145007207) is (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide.
What is the SMILES notation for (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide?
The canonical SMILES for (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide is C=C/N=C/c1c(C)c2c3c(ccc2n1-c1ccc(C)c(C(=C/C(=N/C(=C)c2ccccc2)NC(C)c2ccccc2)/C(C)=C\C=C/C)c1)C1=C(C=CCC1)C3(C)C.
What is the InChIKey of (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide?
The InChIKey is FYAXKEFUGCBGIP-LKMSGAGOSA-N. The full InChI is InChI=1S/C53H54N4/c1-10-12-21-35(3)46(33-50(55-38(6)40-22-15-13-16-23-40)56-39(7)41-24-17-14-18-25-41)45-32-42(29-28-36(45)4)57-48-31-30-44-43-26-19-20-27-47(43)53(8,9)52(44)51(48)37(5)49(57)34-54-11-2/h10-18,20-25,27-34,39H,2,6,19,26H2,1,3-5,7-9H3,(H,55,56)/b12-10-,35-21-,46-33?,54-34+.
What are the key properties of (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide?
(4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide has a molecular weight of 747.04 g/mol, XLogP of 13.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-[5-[2-(ethenyliminomethyl)-1,10,10-trimethyl-6,7-dihydroindeno[2,1-e]indol-3-yl]-2-methylphenyl]-4-methyl-N'-(1-phenylethenyl)-N-(1-phenylethyl)octa-2,4,6-trienimidamide is sourced from PubChem (CID 145007207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).