3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

C61H51N5 — CID 168747883

About 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole

3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (PubChem CID 168747883) has the molecular formula C61H51N5 and a molecular weight of 854.11 g/mol. Its IUPAC name is 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
• PubChem CID: 168747883
• Molecular Formula: C61H51N5
• Molecular Weight: 854.11 g/mol
• Exact Mass: 853.41
• IUPAC Name: 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole
• SMILES: C=C/C=C\C=C\c1nc(-c2ccccc2)nc(-c2cc(C/C=C\C=C/C)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(C(C)(C)C)ccc43)c(-c3ccccc3)c2)n1
• InChI: InChI=1S/C61H51N5/c1-6-8-10-14-28-44-38-45(60-63-57(33-19-11-9-7-2)62-59(64-60)43-26-17-13-18-27-43)39-50(42-24-15-12-16-25-42)58(44)66-55-36-34-46(61(3,4)5)40-51(55)52-41-47(35-37-56(52)66)65-53-31-22-20-29-48(53)49-30-21-23-32-54(49)65/h6-27,29-41H,2,28H2,1,3-5H3/b8-6-,11-9-,14-10-,33-19+
• InChIKey: SFPIWWIAWSCTGE-DBFMQVLBSA-N
• XLogP: 15.79
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	854.11
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The IUPAC name of 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole (CID 168747883) is 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole.

What is the SMILES notation for 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The canonical SMILES for 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is C=C/C=C\C=C\c1nc(-c2ccccc2)nc(-c2cc(C/C=C\C=C/C)c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(C(C)(C)C)ccc43)c(-c3ccccc3)c2)n1.

What is the InChIKey of 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

The InChIKey is SFPIWWIAWSCTGE-DBFMQVLBSA-N. The full InChI is InChI=1S/C61H51N5/c1-6-8-10-14-28-44-38-45(60-63-57(33-19-11-9-7-2)62-59(64-60)43-26-17-13-18-27-43)39-50(42-24-15-12-16-25-42)58(44)66-55-36-34-46(61(3,4)5)40-51(55)52-41-47(35-37-56(52)66)65-53-31-22-20-29-48(53)49-30-21-23-32-54(49)65/h6-27,29-41H,2,28H2,1,3-5H3/b8-6-,11-9-,14-10-,33-19+.

What are the key properties of 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole?

3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole has a molecular weight of 854.11 g/mol, XLogP of 15.79, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-6-carbazol-9-yl-9-[2-[(2Z,4Z)-hexa-2,4-dienyl]-4-[4-[(1E,3Z)-hexa-1,3,5-trienyl]-6-phenyl-1,3,5-triazin-2-yl]-6-phenylphenyl]carbazole is sourced from PubChem (CID 168747883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).