14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C54H37N3 — CID 129290270

About 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 129290270) has the molecular formula C54H37N3 and a molecular weight of 727.91 g/mol. Its IUPAC name is 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• PubChem CID: 129290270
• Molecular Formula: C54H37N3
• Molecular Weight: 727.91 g/mol
• Exact Mass: 727.30
• IUPAC Name: 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
• SMILES: CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccc5c(c4c4c6ccccc6ccc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc21
• InChI: InChI=1S/C54H37N3/c1-53(2)41-28-16-14-26-39(41)48-50(35-19-6-3-7-20-35)55-52(56-51(48)53)57-44-32-30-34-18-12-13-25-38(34)47(44)49-45(57)33-31-43-46(49)40-27-15-17-29-42(40)54(43,36-21-8-4-9-22-36)37-23-10-5-11-24-37/h3-33H,1-2H3
• InChIKey: LKQCGGJDLCSWEM-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.91
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The IUPAC name of 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 129290270) is 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

What is the SMILES notation for 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The canonical SMILES for 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is CC1(C)c2ccccc2-c2c(-c3ccccc3)nc(-n3c4ccc5c(c4c4c6ccccc6ccc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)nc21.

What is the InChIKey of 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

The InChIKey is LKQCGGJDLCSWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3/c1-53(2)41-28-16-14-26-39(41)48-50(35-19-6-3-7-20-35)55-52(56-51(48)53)57-44-32-30-34-18-12-13-25-38(34)47(44)49-45(57)33-31-43-46(49)40-27-15-17-29-42(40)54(43,36-21-8-4-9-22-36)37-23-10-5-11-24-37/h3-33H,1-2H3.

What are the key properties of 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?

14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 727.91 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-9,9-diphenyl-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 129290270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).