3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

C75H52N6 — CID 163782529

About 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole

3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (PubChem CID 163782529) has the molecular formula C75H52N6 and a molecular weight of 1037.28 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• PubChem CID: 163782529
• Molecular Formula: C75H52N6
• Molecular Weight: 1037.28 g/mol
• Exact Mass: 1036.43
• IUPAC Name: 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole
• SMILES: C/C=C\C(=C/C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C75H52N6/c1-3-22-49(4-2)50-37-39-54(40-38-50)74-76-73(53-27-12-7-13-28-53)77-75(78-74)55-45-62(51-23-8-5-9-24-51)72(63(46-55)52-25-10-6-11-26-52)81-70-43-41-56(79-66-33-18-14-29-58(66)59-30-15-19-34-67(59)79)47-64(70)65-48-57(42-44-71(65)81)80-68-35-20-16-31-60(68)61-32-17-21-36-69(61)80/h3-48H,1-2H3/b22-3-,49-4+
• InChIKey: MPUCXEOKCUZVHN-QZSBELFVSA-N
• XLogP: 19.48
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.28
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The IUPAC name of 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole (CID 163782529) is 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole.

What is the SMILES notation for 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The canonical SMILES for 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is C/C=C\C(=C/C)c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccccc4)c(-n4c5ccc(-n6c7ccccc7c7ccccc76)cc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)c(-c4ccccc4)c3)n2)cc1.

What is the InChIKey of 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

The InChIKey is MPUCXEOKCUZVHN-QZSBELFVSA-N. The full InChI is InChI=1S/C75H52N6/c1-3-22-49(4-2)50-37-39-54(40-38-50)74-76-73(53-27-12-7-13-28-53)77-75(78-74)55-45-62(51-23-8-5-9-24-51)72(63(46-55)52-25-10-6-11-26-52)81-70-43-41-56(79-66-33-18-14-29-58(66)59-30-15-19-34-67(59)79)47-64(70)65-48-57(42-44-71(65)81)80-68-35-20-16-31-60(68)61-32-17-21-36-69(61)80/h3-48H,1-2H3/b22-3-,49-4+.

What are the key properties of 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole?

3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole has a molecular weight of 1037.28 g/mol, XLogP of 19.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-di(carbazol-9-yl)-9-[4-[4-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]carbazole is sourced from PubChem (CID 163782529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).