(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene

C44H44N4 — CID 142296230

IUPAC(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene
SMILESC=C/C=C(\C)CN.Cc1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1.[H]/N=C(\N)C(=C)/C=C\C=N\[H]
InChIInChI=1S/C32H24.C6H9N3.C6H11N/c1-23-10-9-11-25(22-23)24-18-20-27(21-19-24)32(26-12-3-2-4-13-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32;1-5(6(8)9)3-2-4-7;1-3-4-6(2)5-7/h2-22H,1H3;2-4,7H,1H2,(H3,8,9);3-4H,1,5,7H2,2H3/b;3-2-,7-4+;6-4+
InChIKeySRCBIMFIFZQLMN-YTWTZKAYSA-N
MW628.86 g/mol
LogP9.79
Rot. Bonds8

About (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene

(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene (PubChem CID 142296230) has the molecular formula C44H44N4 and a molecular weight of 628.86 g/mol. Its IUPAC name is (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene.

Molecular Properties

Compound Name(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene
PubChem CID142296230
Molecular FormulaC44H44N4
Molecular Weight628.86 g/mol
Exact Mass628.36
IUPAC Name(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene
SMILESC=C/C=C(\C)CN.Cc1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1.[H]/N=C(\N)C(=C)/C=C\C=N\[H]
InChIInChI=1S/C32H24.C6H9N3.C6H11N/c1-23-10-9-11-25(22-23)24-18-20-27(21-19-24)32(26-12-3-2-4-13-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32;1-5(6(8)9)3-2-4-7;1-3-4-6(2)5-7/h2-22H,1H3;2-4,7H,1H2,(H3,8,9);3-4H,1,5,7H2,2H3/b;3-2-,7-4+;6-4+
InChIKeySRCBIMFIFZQLMN-YTWTZKAYSA-N
XLogP9.79
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.86
LogP ≤ 59.79
H-Bond Donors ≤ 54
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'}

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Related Compounds

(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
3-(2-methylphenyl)-9,9-diphenylfluorene;3-[3-(2-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(3-methylphenyl)phenyl]-9,9-diphenylfluorene;3-[3-(4-methylphenyl)phenyl]-9,9-diphenylfluorene
CID 165031307
(1Z,3E)-1,5-diphenyl-3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]penta-1,3-dien-1-amine
CID 142296330
4-[2-(4-methylphenyl)-9-phenylfluoren-9-yl]phenol
CID 122651606
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
9-[4-(4-methylphenyl)phenyl]-9-phenyl-2,7-bis(4-phenylphenyl)fluorene
CID 58894820
3,9,9-triphenylfluorene
CID 140844354
9-[3,5-bis(3-phenylphenyl)phenyl]-9-(3-methyl-5-phenylphenyl)fluorene
CID 171757298
2-methyl-9,9-diphenyl-7-(4-phenylphenyl)fluorene
CID 144950232
[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]methanamine;methanimine;toluene
CID 145452603
(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

Frequently Asked Questions

What is the IUPAC name of (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene?
The IUPAC name of (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene (CID 142296230) is (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene.
What is the SMILES notation for (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene?
The canonical SMILES for (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene is C=C/C=C(\C)CN.Cc1cccc(-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)c1.[H]/N=C(\N)C(=C)/C=C\C=N\[H].
What is the InChIKey of (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene?
The InChIKey is SRCBIMFIFZQLMN-YTWTZKAYSA-N. The full InChI is InChI=1S/C32H24.C6H9N3.C6H11N/c1-23-10-9-11-25(22-23)24-18-20-27(21-19-24)32(26-12-3-2-4-13-26)30-16-7-5-14-28(30)29-15-6-8-17-31(29)32;1-5(6(8)9)3-2-4-7;1-3-4-6(2)5-7/h2-22H,1H3;2-4,7H,1H2,(H3,8,9);3-4H,1,5,7H2,2H3/b;3-2-,7-4+;6-4+.
What are the key properties of (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene?
(Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene has a molecular weight of 628.86 g/mol, XLogP of 9.79, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-imino-2-methylidenepent-3-enimidamide;(2E)-2-methylpenta-2,4-dien-1-amine;9-[4-(3-methylphenyl)phenyl]-9-phenylfluorene is sourced from PubChem (CID 142296230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).