trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane

C33H28GeN2 — CID 168805846

About trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane

trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane (PubChem CID 168805846) has the molecular formula C33H28GeN2 and a molecular weight of 525.21 g/mol. Its IUPAC name is trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane.

Molecular Properties

• Compound Name: trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane
• PubChem CID: 168805846
• Molecular Formula: C33H28GeN2
• Molecular Weight: 525.21 g/mol
• Exact Mass: 526.15
• IUPAC Name: trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane
• SMILES: C[Ge](C)(C)c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1
• InChI: InChI=1S/C33H28GeN2/c1-34(2,3)23-17-19-25(20-18-23)36-29-16-10-8-14-27(29)33-31(36)22-21-30-32(33)26-13-7-9-15-28(26)35(30)24-11-5-4-6-12-24/h4-22H,1-3H3
• InChIKey: NXQKVEZCDUPEIJ-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.21
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane?

The IUPAC name of trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane (CID 168805846) is trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane.

What is the SMILES notation for trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane?

The canonical SMILES for trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane is C[Ge](C)(C)c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4ccc32)cc1.

What is the InChIKey of trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane?

The InChIKey is NXQKVEZCDUPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28GeN2/c1-34(2,3)23-17-19-25(20-18-23)36-29-16-10-8-14-27(29)33-31(36)22-21-30-32(33)26-13-7-9-15-28(26)35(30)24-11-5-4-6-12-24/h4-22H,1-3H3.

What are the key properties of trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane?

trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane has a molecular weight of 525.21 g/mol, XLogP of 8.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]germane is sourced from PubChem (CID 168805846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).