14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C37H25N3O — CID 130334281

About 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 130334281) has the molecular formula C37H25N3O and a molecular weight of 527.63 g/mol. Its IUPAC name is 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 130334281
• Molecular Formula: C37H25N3O
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.20
• IUPAC Name: 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc(-c3ccccc3)nc21
• InChI: InChI=1S/C37H25N3O/c1-37(2)26-17-9-6-14-23(26)33-34(37)38-35(22-12-4-3-5-13-22)39-36(33)40-27-18-10-7-15-24(27)31-28(40)20-21-30-32(31)25-16-8-11-19-29(25)41-30/h3-21H,1-2H3
• InChIKey: DIBLMVYMUQVQNE-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 130334281) is 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

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

The canonical SMILES for 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c(-n3c4ccccc4c4c5c(ccc43)oc3ccccc35)nc(-c3ccccc3)nc21.

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

The InChIKey is DIBLMVYMUQVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H25N3O/c1-37(2)26-17-9-6-14-23(26)33-34(37)38-35(22-12-4-3-5-13-22)39-36(33)40-27-18-10-7-15-24(27)31-28(40)20-21-30-32(31)25-16-8-11-19-29(25)41-30/h3-21H,1-2H3.

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

14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 527.63 g/mol, XLogP of 9.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 130334281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).