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

C63H42GeN6 — CID 170681732

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

[4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane (PubChem CID 170681732) has the molecular formula C63H42GeN6 and a molecular weight of 955.68 g/mol. Its IUPAC name is [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane.

Molecular Properties

• Compound Name: [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
• PubChem CID: 170681732
• Molecular Formula: C63H42GeN6
• Molecular Weight: 955.68 g/mol
• Exact Mass: 956.27
• IUPAC Name: [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane
• SMILES: c1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1
• InChI: InChI=1S/C63H42GeN6/c1-4-22-43(23-5-1)64(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-40-41-60(68-54-34-16-10-28-47(54)48-29-11-17-35-55(48)68)53(42-46)61-65-62(69-56-36-18-12-30-49(56)50-31-13-19-37-57(50)69)67-63(66-61)70-58-38-20-14-32-51(58)52-33-15-21-39-59(52)70/h1-42H
• InChIKey: XAJSWACAKREOMS-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.68
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane (CID 170681732) is [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane.

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

The canonical SMILES for [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane is c1ccc([Ge](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)c(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1.

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

The InChIKey is XAJSWACAKREOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42GeN6/c1-4-22-43(23-5-1)64(44-24-6-2-7-25-44,45-26-8-3-9-27-45)46-40-41-60(68-54-34-16-10-28-47(54)48-29-11-17-35-55(48)68)53(42-46)61-65-62(69-56-36-18-12-30-49(56)50-31-13-19-37-57(50)69)67-63(66-61)70-58-38-20-14-32-51(58)52-33-15-21-39-59(52)70/h1-42H.

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

[4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane has a molecular weight of 955.68 g/mol, XLogP of 12.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylgermane is sourced from PubChem (CID 170681732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).