(9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene

C44H35N3 — CID 145167452

About (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene

(9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene (PubChem CID 145167452) has the molecular formula C44H35N3 and a molecular weight of 605.79 g/mol. Its IUPAC name is (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene
• PubChem CID: 145167452
• Molecular Formula: C44H35N3
• Molecular Weight: 605.79 g/mol
• Exact Mass: 605.28
• IUPAC Name: (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene
• SMILES: C=C/C=C\C.Nc1cccc2c1/C(=C\Cn1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc31)c1ccccc1-2
• InChI: InChI=1S/C39H27N3.C5H8/c40-34-16-9-15-31-26-10-1-2-11-27(26)32(39(31)34)22-23-41-35-17-6-3-14-30(35)33-24-25(20-21-36(33)41)42-37-18-7-4-12-28(37)29-13-5-8-19-38(29)42;1-3-5-4-2/h1-22,24H,23,40H2;3-5H,1H2,2H3/b32-22-;5-4-
• InChIKey: GJFWBYINWIATIR-OTJBUWQRSA-N
• XLogP: 11.33
• TPSA: 35.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.79
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene?

The IUPAC name of (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene (CID 145167452) is (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene.

What is the SMILES notation for (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene?

The canonical SMILES for (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene is C=C/C=C\C.Nc1cccc2c1/C(=C\Cn1c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc31)c1ccccc1-2.

What is the InChIKey of (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene?

The InChIKey is GJFWBYINWIATIR-OTJBUWQRSA-N. The full InChI is InChI=1S/C39H27N3.C5H8/c40-34-16-9-15-31-26-10-1-2-11-27(26)32(39(31)34)22-23-41-35-17-6-3-14-30(35)33-24-25(20-21-36(33)41)42-37-18-7-4-12-28(37)29-13-5-8-19-38(29)42;1-3-5-4-2/h1-22,24H,23,40H2;3-5H,1H2,2H3/b32-22-;5-4-.

What are the key properties of (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene?

(9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene has a molecular weight of 605.79 g/mol, XLogP of 11.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (9Z)-9-[2-(3-carbazol-9-ylcarbazol-9-yl)ethylidene]fluoren-1-amine;(3Z)-penta-1,3-diene is sourced from PubChem (CID 145167452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).