3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

C69H43N7 — CID 130353815

About 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole

3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 130353815) has the molecular formula C69H43N7 and a molecular weight of 970.15 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• PubChem CID: 130353815
• Molecular Formula: C69H43N7
• Molecular Weight: 970.15 g/mol
• Exact Mass: 969.36
• IUPAC Name: 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
• SMILES: c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1
• InChI: InChI=1S/C69H43N7/c1-2-16-44(17-3-1)67-70-68(45-30-34-47(35-31-45)73-63-28-14-8-22-55(63)57-42-49(38-40-65(57)73)75-59-24-10-4-18-51(59)52-19-5-11-25-60(52)75)72-69(71-67)46-32-36-48(37-33-46)74-64-29-15-9-23-56(64)58-43-50(39-41-66(58)74)76-61-26-12-6-20-53(61)54-21-7-13-27-62(54)76/h1-43H
• InChIKey: OGOMCGRMCLRCPD-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	970.15
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The IUPAC name of 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole (CID 130353815) is 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole.

What is the SMILES notation for 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The canonical SMILES for 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)nc(-c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)ccc54)cc3)n2)cc1.

What is the InChIKey of 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

The InChIKey is OGOMCGRMCLRCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H43N7/c1-2-16-44(17-3-1)67-70-68(45-30-34-47(35-31-45)73-63-28-14-8-22-55(63)57-42-49(38-40-65(57)73)75-59-24-10-4-18-51(59)52-19-5-11-25-60(52)75)72-69(71-67)46-32-36-48(37-33-46)74-64-29-15-9-23-56(64)58-43-50(39-41-66(58)74)76-61-26-12-6-20-53(61)54-21-7-13-27-62(54)76/h1-43H.

What are the key properties of 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole?

3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 970.15 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 130353815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).