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

C58H42GeN4 — CID 158572406

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

[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane (PubChem CID 158572406) has the molecular formula C58H42GeN4 and a molecular weight of 867.61 g/mol. Its IUPAC name is [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane.

Molecular Properties

• Compound Name: [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
• PubChem CID: 158572406
• Molecular Formula: C58H42GeN4
• Molecular Weight: 867.61 g/mol
• Exact Mass: 868.26
• IUPAC Name: [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane
• SMILES: Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C58H42GeN4/c1-41-31-38-54-52(39-41)50-29-17-18-30-53(50)63(54)55-40-45(34-37-51(55)58-61-56(43-19-7-2-8-20-43)60-57(62-58)44-21-9-3-10-22-44)42-32-35-49(36-33-42)59(46-23-11-4-12-24-46,47-25-13-5-14-26-47)48-27-15-6-16-28-48/h2-40H,1H3
• InChIKey: KVEBCELVDLPPCN-UHFFFAOYSA-N
• XLogP: 11.32
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.61
LogP ≤ 5	11.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane (CID 158572406) is [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane.

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

The canonical SMILES for [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane is Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc([Ge](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

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

The InChIKey is KVEBCELVDLPPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H42GeN4/c1-41-31-38-54-52(39-41)50-29-17-18-30-53(50)63(54)55-40-45(34-37-51(55)58-61-56(43-19-7-2-8-20-43)60-57(62-58)44-21-9-3-10-22-44)42-32-35-49(36-33-42)59(46-23-11-4-12-24-46,47-25-13-5-14-26-47)48-27-15-6-16-28-48/h2-40H,1H3.

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

[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane has a molecular weight of 867.61 g/mol, XLogP of 11.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-methylcarbazol-9-yl)phenyl]phenyl]-triphenylgermane is sourced from PubChem (CID 158572406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).