N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine

C45H37N3 — CID 155207418

About N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine (PubChem CID 155207418) has the molecular formula C45H37N3 and a molecular weight of 619.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine
• PubChem CID: 155207418
• Molecular Formula: C45H37N3
• Molecular Weight: 619.81 g/mol
• Exact Mass: 619.30
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine
• SMILES: C=C/C=C\C(=C/C)n1c2ccccc2c2cc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccn4)cc3)ccc21
• InChI: InChI=1S/C45H37N3/c1-5-7-14-33(6-2)48-42-18-11-9-16-38(42)39-29-32(22-27-43(39)48)31-20-23-34(24-21-31)47(44-19-12-13-28-46-44)35-25-26-37-36-15-8-10-17-40(36)45(3,4)41(37)30-35/h5-30H,1H2,2-4H3/b14-7-,33-6+
• InChIKey: SPLMSZFVDXDNQK-WHNOEDTHSA-N
• XLogP: 12.24
• TPSA: 21.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.81
LogP ≤ 5	12.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine (CID 155207418) is N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine is C=C/C=C\C(=C/C)n1c2ccccc2c2cc(-c3ccc(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccn4)cc3)ccc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine?

The InChIKey is SPLMSZFVDXDNQK-WHNOEDTHSA-N. The full InChI is InChI=1S/C45H37N3/c1-5-7-14-33(6-2)48-42-18-11-9-16-38(42)39-29-32(22-27-43(39)48)31-20-23-34(24-21-31)47(44-19-12-13-28-46-44)35-25-26-37-36-15-8-10-17-40(36)45(3,4)41(37)30-35/h5-30H,1H2,2-4H3/b14-7-,33-6+.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine?

N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine has a molecular weight of 619.81 g/mol, XLogP of 12.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-[(2E,4Z)-hepta-2,4,6-trien-3-yl]carbazol-3-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 155207418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).