(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide

C45H40N4 — CID 142296219

IUPAC(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide
SMILES[H]/N=C/C=C\C(=C)C/C=C(\N=C(N)\C(C)=C\C=C/N)c1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C45H40N4/c1-32(13-11-29-46)23-28-43(49-44(48)33(2)14-12-30-47)36-16-10-15-35(31-36)34-24-26-38(27-25-34)45(37-17-4-3-5-18-37)41-21-8-6-19-39(41)40-20-7-9-22-42(40)45/h3-22,24-31,46H,1,23,47H2,2H3,(H2,48,49)/b13-11-,30-12-,33-14+,43-28-,46-29+
InChIKeySWBFKZHHZLKPEA-MQRFGQOFSA-N
MW636.84 g/mol
LogP9.99
Rot. Bonds11

About (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide

(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide (PubChem CID 142296219) has the molecular formula C45H40N4 and a molecular weight of 636.84 g/mol. Its IUPAC name is (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide.

Molecular Properties

Compound Name(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide
PubChem CID142296219
Molecular FormulaC45H40N4
Molecular Weight636.84 g/mol
Exact Mass636.33
IUPAC Name(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide
SMILES[H]/N=C/C=C\C(=C)C/C=C(\N=C(N)\C(C)=C\C=C/N)c1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1
InChIInChI=1S/C45H40N4/c1-32(13-11-29-46)23-28-43(49-44(48)33(2)14-12-30-47)36-16-10-15-35(31-36)34-24-26-38(27-25-34)45(37-17-4-3-5-18-37)41-21-8-6-19-39(41)40-20-7-9-22-42(40)45/h3-22,24-31,46H,1,23,47H2,2H3,(H2,48,49)/b13-11-,30-12-,33-14+,43-28-,46-29+
InChIKeySWBFKZHHZLKPEA-MQRFGQOFSA-N
XLogP9.99
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.84
LogP ≤ 59.99
H-Bond Donors ≤ 53
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 (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide with MolForge

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Related Compounds

(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene
CID 142296230
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
propane;spiro[fluorene-9,6'-tricyclo[5.2.2.22,5]trideca-1(10),2(13),3,5(12),7(11),8-hexaene]
CID 144938761
N'-[(2S)-2-amino-1-[3-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2-phenylethyl]benzenecarboximidamide
CID 121450619
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N'-[(Z)-1-[4-(9,9-diphenylfluoren-1-yl)naphthalen-1-yl]-3-(3,5-diphenylphenyl)prop-1-enyl]benzenecarboximidamide
CID 176835261
3,9,9-triphenylfluorene
CID 140844354
9-[3-[(3Z)-penta-1,3-dien-2-yl]phenyl]-7,7-diphenylbenzo[c]fluorene
CID 144924595
(2E)-3-(7,7,9-triphenylbenzo[c]fluoren-5-yl)penta-2,4-dien-1-imine
CID 144925274
9,9-bis[3-(3-phenylphenyl)phenyl]fluorene
CID 140873482
phenyl-[4-(9-phenylfluoren-9-yl)phenyl]methanimine
CID 167230637
N-(2-methylidenebutylidene)-3-phenylbenzenecarboximidamide
CID 140591566

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide?
The IUPAC name of (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide (CID 142296219) is (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide.
What is the SMILES notation for (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide?
The canonical SMILES for (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide is [H]/N=C/C=C\C(=C)C/C=C(\N=C(N)\C(C)=C\C=C/N)c1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1.
What is the InChIKey of (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide?
The InChIKey is SWBFKZHHZLKPEA-MQRFGQOFSA-N. The full InChI is InChI=1S/C45H40N4/c1-32(13-11-29-46)23-28-43(49-44(48)33(2)14-12-30-47)36-16-10-15-35(31-36)34-24-26-38(27-25-34)45(37-17-4-3-5-18-37)41-21-8-6-19-39(41)40-20-7-9-22-42(40)45/h3-22,24-31,46H,1,23,47H2,2H3,(H2,48,49)/b13-11-,30-12-,33-14+,43-28-,46-29+.
What are the key properties of (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide?
(2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide has a molecular weight of 636.84 g/mol, XLogP of 9.99, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-amino-N'-[(1Z,5Z)-7-imino-4-methylidene-1-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]hepta-1,5-dienyl]-2-methylpenta-2,4-dienimidamide is sourced from PubChem (CID 142296219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).