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

C69H45N5 — CID 139303447

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

9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole (PubChem CID 139303447) has the molecular formula C69H45N5 and a molecular weight of 944.15 g/mol. Its IUPAC name is 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole.

Molecular Properties

• Compound Name: 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
• PubChem CID: 139303447
• Molecular Formula: C69H45N5
• Molecular Weight: 944.15 g/mol
• Exact Mass: 943.37
• IUPAC Name: 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(-c7ccccc7)ccc6-n6c7ccccc7c7ccccc76)c5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1
• InChI: InChI=1S/C69H45N5/c1-4-20-46(21-5-1)49-26-18-27-51(42-49)55-40-38-54(45-66(55)74-63-36-16-12-32-58(63)59-33-13-17-37-64(59)74)69-71-67(48-24-8-3-9-25-48)70-68(72-69)53-29-19-28-52(43-53)60-44-50(47-22-6-2-7-23-47)39-41-65(60)73-61-34-14-10-30-56(61)57-31-11-15-35-62(57)73/h1-45H
• InChIKey: QORDEUWNQFWHKN-UHFFFAOYSA-N
• XLogP: 17.73
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	944.15
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole (CID 139303447) is 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole.

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

The canonical SMILES for 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole is c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cc(-c7ccccc7)ccc6-n6c7ccccc7c7ccccc76)c5)n4)cc3-n3c4ccccc4c4ccccc43)c2)cc1.

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

The InChIKey is QORDEUWNQFWHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H45N5/c1-4-20-46(21-5-1)49-26-18-27-51(42-49)55-40-38-54(45-66(55)74-63-36-16-12-32-58(63)59-33-13-17-37-64(59)74)69-71-67(48-24-8-3-9-25-48)70-68(72-69)53-29-19-28-52(43-53)60-44-50(47-22-6-2-7-23-47)39-41-65(60)73-61-34-14-10-30-56(61)57-31-11-15-35-62(57)73/h1-45H.

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

9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole has a molecular weight of 944.15 g/mol, XLogP of 17.73, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[3-[4-[3-carbazol-9-yl-4-(3-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-phenylphenyl]carbazole is sourced from PubChem (CID 139303447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).