27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene

C74H51N3 — CID 170127150

About 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene

27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene (PubChem CID 170127150) has the molecular formula C74H51N3 and a molecular weight of 982.24 g/mol. Its IUPAC name is 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene.

Molecular Properties

• Compound Name: 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene
• PubChem CID: 170127150
• Molecular Formula: C74H51N3
• Molecular Weight: 982.24 g/mol
• Exact Mass: 981.41
• IUPAC Name: 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene
• SMILES: C/C=C\C=C/c1cc2cccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4c4cccc(c5ccccc5n1-c1ccc5c(c1)-c1ccccc1C5c1ccccc1)c4c23
• InChI: InChI=1S/C74H51N3/c1-2-3-6-28-52-46-50-25-21-35-61-56-30-14-18-39-68(56)77(54-43-45-71-66(48-54)59-33-16-20-41-70(59)76(71)51-26-9-5-10-27-51)69-40-19-15-32-58(69)63-37-22-36-62(74(63)73(50)61)57-31-13-17-38-67(57)75(52)53-42-44-64-65(47-53)55-29-11-12-34-60(55)72(64)49-23-7-4-8-24-49/h2-48,72H,1H3/b3-2-,28-6-,52-46-
• InChIKey: PACWKLDQWJTHJM-JFBGDJNSSA-N
• XLogP: 19.72
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.24
LogP ≤ 5	19.72
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 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene?

The IUPAC name of 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene (CID 170127150) is 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene.

What is the SMILES notation for 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene?

The canonical SMILES for 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene is C/C=C\C=C/c1cc2cccc3c4ccccc4n(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4ccccc4c4cccc(c5ccccc5n1-c1ccc5c(c1)-c1ccccc1C5c1ccccc1)c4c23.

What is the InChIKey of 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene?

The InChIKey is PACWKLDQWJTHJM-JFBGDJNSSA-N. The full InChI is InChI=1S/C74H51N3/c1-2-3-6-28-52-46-50-25-21-35-61-56-30-14-18-39-68(56)77(54-43-45-71-66(48-54)59-33-16-20-41-70(59)76(71)51-26-9-5-10-27-51)69-40-19-15-32-58(69)63-37-22-36-62(74(63)73(50)61)57-31-13-17-38-67(57)75(52)53-42-44-64-65(47-53)55-29-11-12-34-60(55)72(64)49-23-7-4-8-24-49/h2-48,72H,1H3/b3-2-,28-6-,52-46-.

What are the key properties of 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene?

27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene has a molecular weight of 982.24 g/mol, XLogP of 19.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 27-[(1Z,3Z)-penta-1,3-dienyl]-8-(9-phenylcarbazol-3-yl)-26-(9-phenyl-9H-fluoren-3-yl)-8,26-diazaheptacyclo[17.13.2.02,7.09,14.015,34.020,25.029,33]tetratriaconta-1(32),2,4,6,9,11,13,15(34),16,18,20,22,24,27,29(33),30-hexadecaene is sourced from PubChem (CID 170127150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).