9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole

C49H36N2 — CID 144579124

About 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole

9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole (PubChem CID 144579124) has the molecular formula C49H36N2 and a molecular weight of 652.84 g/mol. Its IUPAC name is 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole.

Molecular Properties

• Compound Name: 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole
• PubChem CID: 144579124
• Molecular Formula: C49H36N2
• Molecular Weight: 652.84 g/mol
• Exact Mass: 652.29
• IUPAC Name: 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole
• SMILES: C=C1/C=C\C=C/N(c2ccc(-c3ccccc3)cc2)c2cc(C3C=Cc4c(c5ccccc5n4-c4ccc5c(c4)-c4ccccc4C5)C3)ccc21
• InChI: InChI=1S/C49H36N2/c1-33-11-9-10-28-50(40-23-18-35(19-24-40)34-12-3-2-4-13-34)49-31-37(21-26-42(33)49)36-22-27-48-46(30-36)44-16-7-8-17-47(44)51(48)41-25-20-39-29-38-14-5-6-15-43(38)45(39)32-41/h2-28,31-32,36H,1,29-30H2/b11-9-,28-10-
• InChIKey: ZAGIBIHGRCXOQJ-UGMOZWPGSA-N
• XLogP: 12.46
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.84
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole?

The IUPAC name of 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole (CID 144579124) is 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole.

What is the SMILES notation for 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole?

The canonical SMILES for 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole is C=C1/C=C\C=C/N(c2ccc(-c3ccccc3)cc2)c2cc(C3C=Cc4c(c5ccccc5n4-c4ccc5c(c4)-c4ccccc4C5)C3)ccc21.

What is the InChIKey of 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole?

The InChIKey is ZAGIBIHGRCXOQJ-UGMOZWPGSA-N. The full InChI is InChI=1S/C49H36N2/c1-33-11-9-10-28-50(40-23-18-35(19-24-40)34-12-3-2-4-13-34)49-31-37(21-26-42(33)49)36-22-27-48-46(30-36)44-16-7-8-17-47(44)51(48)41-25-20-39-29-38-14-5-6-15-43(38)45(39)32-41/h2-28,31-32,36H,1,29-30H2/b11-9-,28-10-.

What are the key properties of 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole?

9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole has a molecular weight of 652.84 g/mol, XLogP of 12.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(9H-fluoren-3-yl)-3-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-9-yl]-3,4-dihydrocarbazole is sourced from PubChem (CID 144579124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).