2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine

C49H35GeN3 — CID 140805822

About 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine

2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine (PubChem CID 140805822) has the molecular formula C49H35GeN3 and a molecular weight of 738.45 g/mol. Its IUPAC name is 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine.

Molecular Properties

• Compound Name: 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
• PubChem CID: 140805822
• Molecular Formula: C49H35GeN3
• Molecular Weight: 738.45 g/mol
• Exact Mass: 739.20
• IUPAC Name: 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)c2c(n1)-c1ccccc1[Ge]2(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C49H35GeN3/c1-49(2)38-27-15-12-24-35(38)43-39(49)30-31-42-44(43)37-26-14-17-29-41(37)53(42)48-51-46(32-18-6-3-7-19-32)45-47(52-48)36-25-13-16-28-40(36)50(45,33-20-8-4-9-21-33)34-22-10-5-11-23-34/h3-31H,1-2H3
• InChIKey: SJBINYXOLLNGGE-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.45
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?

The IUPAC name of 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine (CID 140805822) is 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine.

What is the SMILES notation for 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?

The canonical SMILES for 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine is CC1(C)c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccccc2)c2c(n1)-c1ccccc1[Ge]2(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?

The InChIKey is SJBINYXOLLNGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35GeN3/c1-49(2)38-27-15-12-24-35(38)43-39(49)30-31-42-44(43)37-26-14-17-29-41(37)53(42)48-51-46(32-18-6-3-7-19-32)45-47(52-48)36-25-13-16-28-40(36)50(45,33-20-8-4-9-21-33)34-22-10-5-11-23-34/h3-31H,1-2H3.

What are the key properties of 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine?

2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine has a molecular weight of 738.45 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)-4,5,5-triphenyl-[1]benzogermolo[3,2-d]pyrimidine is sourced from PubChem (CID 140805822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).