9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene

C39H28N2 — CID 122595599

About 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene

9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene (PubChem CID 122595599) has the molecular formula C39H28N2 and a molecular weight of 527.69 g/mol. Its IUPAC name is 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene.

Molecular Properties

• Compound Name: 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene
• PubChem CID: 122595599
• Molecular Formula: C39H28N2
• Molecular Weight: 527.69 g/mol
• Exact Mass: 527.24
• IUPAC Name: 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene
• SMILES: [2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc21
• InChI: InChI=1S/C39H28N2/c1-39(2)31-17-9-6-14-27(31)28-21-20-26(24-32(28)39)41-34-19-11-8-16-30(34)38-36(41)23-22-35-37(38)29-15-7-10-18-33(29)40(35)25-12-4-3-5-13-25/h3-24H,1-2H3/i1D3
• InChIKey: SMCDLCNTMKFPIX-FIBGUPNXSA-N
• XLogP: 10.19
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.69
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene?

The IUPAC name of 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene (CID 122595599) is 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene.

What is the SMILES notation for 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene?

The canonical SMILES for 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene is [2H]C([2H])([2H])C1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6)c5ccc43)cc21.

What is the InChIKey of 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene?

The InChIKey is SMCDLCNTMKFPIX-FIBGUPNXSA-N. The full InChI is InChI=1S/C39H28N2/c1-39(2)31-17-9-6-14-27(31)28-21-20-26(24-32(28)39)41-34-19-11-8-16-30(34)38-36(41)23-22-35-37(38)29-15-7-10-18-33(29)40(35)25-12-4-3-5-13-25/h3-24H,1-2H3/i1D3.

What are the key properties of 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene?

9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene has a molecular weight of 527.69 g/mol, XLogP of 10.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[9-methyl-9-(trideuteriomethyl)fluoren-2-yl]-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-nonaene is sourced from PubChem (CID 122595599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).