(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene

C65H49N3 — CID 145334582

About (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene

(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene (PubChem CID 145334582) has the molecular formula C65H49N3 and a molecular weight of 872.13 g/mol. Its IUPAC name is (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene.

Molecular Properties

• Compound Name: (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
• PubChem CID: 145334582
• Molecular Formula: C65H49N3
• Molecular Weight: 872.13 g/mol
• Exact Mass: 871.39
• IUPAC Name: (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene
• SMILES: Cc1ccccc1.[H]/N=C(\C=C(/N)c1ccc(-c2ccccc2)cc1)c1cccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1
• InChI: InChI=1S/C58H41N3.C7H8/c59-54(41-31-29-40(30-32-41)39-15-3-1-4-16-39)38-55(60)46-20-14-19-44(36-46)42-17-13-18-43(35-42)45-33-34-51-49(37-45)48-23-7-8-24-50(48)58(51)52-25-9-11-27-56(52)61(47-21-5-2-6-22-47)57-28-12-10-26-53(57)58;1-7-5-3-2-4-6-7/h1-38,60H,59H2;2-6H,1H3/b54-38-,60-55+
• InChIKey: XHGIFUPTKUMEFN-LQQCODRUSA-N
• XLogP: 16.20
• TPSA: 53.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.13
LogP ≤ 5	16.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene?

The IUPAC name of (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene (CID 145334582) is (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene.

What is the SMILES notation for (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene?

The canonical SMILES for (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene is Cc1ccccc1.[H]/N=C(\C=C(/N)c1ccc(-c2ccccc2)cc1)c1cccc(-c2cccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4N(c4ccccc4)c4ccccc43)c2)c1.

What is the InChIKey of (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene?

The InChIKey is XHGIFUPTKUMEFN-LQQCODRUSA-N. The full InChI is InChI=1S/C58H41N3.C7H8/c59-54(41-31-29-40(30-32-41)39-15-3-1-4-16-39)38-55(60)46-20-14-19-44(36-46)42-17-13-18-43(35-42)45-33-34-51-49(37-45)48-23-7-8-24-50(48)58(51)52-25-9-11-27-56(52)61(47-21-5-2-6-22-47)57-28-12-10-26-53(57)58;1-7-5-3-2-4-6-7/h1-38,60H,59H2;2-6H,1H3/b54-38-,60-55+;.

What are the key properties of (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene?

(Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene has a molecular weight of 872.13 g/mol, XLogP of 16.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-imino-1-(4-phenylphenyl)-3-[3-[3-(10-phenylspiro[acridine-9,9'-fluorene]-3'-yl)phenyl]phenyl]prop-1-en-1-amine;toluene is sourced from PubChem (CID 145334582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).