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

C73H59N3 — CID 145017021

IUPAC2-[(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
SMILESC#C/C(=C\C=C/C)c1c(C)cccc1C(=N/C(=C)n1c2ccccc2c2ccc3c(c21)C(C)(C)c1c-3ccc(-c2ccc3c(c2C)-c2ccccc2C32C3=CCCC=C3c3ccccc32)c1C)/N=C(\C)c1ccccc1
InChIInChI=1S/C73H59N3/c1-10-12-26-49(11-2)66-44(3)25-24-33-60(66)71(74-47(6)50-27-14-13-15-28-50)75-48(7)76-65-37-23-19-31-55(65)58-41-40-57-56-39-38-52(46(5)68(56)72(8,9)69(57)70(58)76)51-42-43-64-67(45(51)4)59-32-18-22-36-63(59)73(64)61-34-20-16-29-53(61)54-30-17-21-35-62(54)73/h2,10,12-16,18-20,22-43H,7,17,21H2,1,3-6,8-9H3/b12-10-,49-26+,74-47+,75-71-
InChIKeyHYDPZUQOCNLPML-MQOAACDJSA-N
MW978.30 g/mol
LogP18.10
Rot. Bonds7

About 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

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 (PubChem CID 145017021) has the molecular formula C73H59N3 and a molecular weight of 978.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145017021
Molecular FormulaC73H59N3
Molecular Weight978.30 g/mol
Exact Mass977.47
IUPAC Name2-[(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
SMILESC#C/C(=C\C=C/C)c1c(C)cccc1C(=N/C(=C)n1c2ccccc2c2ccc3c(c21)C(C)(C)c1c-3ccc(-c2ccc3c(c2C)-c2ccccc2C32C3=CCCC=C3c3ccccc32)c1C)/N=C(\C)c1ccccc1
InChIInChI=1S/C73H59N3/c1-10-12-26-49(11-2)66-44(3)25-24-33-60(66)71(74-47(6)50-27-14-13-15-28-50)75-48(7)76-65-37-23-19-31-55(65)58-41-40-57-56-39-38-52(46(5)68(56)72(8,9)69(57)70(58)76)51-42-43-64-67(45(51)4)59-32-18-22-36-63(59)73(64)61-34-20-16-29-53(61)54-30-17-21-35-62(54)73/h2,10,12-16,18-20,22-43H,7,17,21H2,1,3-6,8-9H3/b12-10-,49-26+,74-47+,75-71-
InChIKeyHYDPZUQOCNLPML-MQOAACDJSA-N
XLogP18.10
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.30
LogP ≤ 518.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1-(4-carbazol-9-ylphenyl)-N-(1-phenylethenyl)ethanimine;9,9-diphenyl-4-prop-1-en-2-ylfluorene
CID 145237212
N'-(1-phenylethenyl)-N-[1-[(13S)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,10'-9H-phenanthrene]-16-yl]ethylidene]cyclohexa-1,5-diene-1-carboximidamide
CID 137383672
3-(12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaen-16-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 167186375
N-(1-carbazol-9-ylethenyl)-1-phenylethanimine
CID 174072422
4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-2-[(3E,5Z)-hepta-3,5-dien-1-yn-3-yl]-N-phenylaniline
CID 138506761
9,9-dimethyl-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-N'-(1-phenylethenyl)-N-(1-phenylethylidene)xanthene-4-carboximidamide
CID 144782124
7,7-dimethyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)indeno[2,1-b]carbazole-5-carboximidamide
CID 154035967
5-[(3E)-4-(3,5-diphenylphenyl)penta-1,3-dien-2-yl]-7,7-dimethyl-9,10-dihydroindeno[2,1-b]carbazole
CID 145017127
(2E)-N-(1-phenylethylidene)-N'-[1-(11-phenylindolo[2,3-a]carbazol-12-yl)ethenyl]-2-[(Z)-prop-1-enyl]penta-2,4-dienimidamide
CID 144968022
4-methyl-3-(2-methylphenyl)-9,9'-spirobi[fluorene]
CID 144864353
9,9-dimethyl-5-(5-phenyl-[1]benzofuro[3,2-c]carbazol-2-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)xanthene-4-carboximidamide
CID 144825890
(2-bromophenyl)-spiro[fluorene-9,7'-indeno[1,2-a]carbazole]-12'-ylmethanone
CID 118343905

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C#C/C(=C\C=C/C)c1c(C)cccc1C(=N/C(=C)n1c2ccccc2c2ccc3c(c21)C(C)(C)c1c-3ccc(-c2ccc3c(c2C)-c2ccccc2C32C3=CCCC=C3c3ccccc32)c1C)/N=C(\C)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is HYDPZUQOCNLPML-MQOAACDJSA-N. The full InChI is InChI=1S/C73H59N3/c1-10-12-26-49(11-2)66-44(3)25-24-33-60(66)71(74-47(6)50-27-14-13-15-28-50)75-48(7)76-65-37-23-19-31-55(65)58-41-40-57-56-39-38-52(46(5)68(56)72(8,9)69(57)70(58)76)51-42-43-64-67(45(51)4)59-32-18-22-36-63(59)73(64)61-34-20-16-29-53(61)54-30-17-21-35-62(54)73/h2,10,12-16,18-20,22-43H,7,17,21H2,1,3-6,8-9H3/b12-10-,49-26+,74-47+,75-71-.
What are the key properties of 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?
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 has a molecular weight of 978.30 g/mol, XLogP of 18.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145017021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).