(11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one

C32H34N6O — CID 143397233

About (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one

(11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one (PubChem CID 143397233) has the molecular formula C32H34N6O and a molecular weight of 518.67 g/mol. Its IUPAC name is (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one.

Molecular Properties

• Compound Name: (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one
• PubChem CID: 143397233
• Molecular Formula: C32H34N6O
• Molecular Weight: 518.67 g/mol
• Exact Mass: 518.28
• IUPAC Name: (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one
• SMILES: CC(C)[C@@H]1Nc2nc(nc3ccccc23)CN2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2NC1=O
• InChI: InChI=1S/C32H34N6O/c1-20(2)30-32(39)35-29-19-37(17-21-11-12-25-23(15-21)16-22-7-3-4-8-24(22)25)13-14-38(29)18-28-33-27-10-6-5-9-26(27)31(34-28)36-30/h3-12,15,20,29-30H,13-14,16-19H2,1-2H3,(H,35,39)(H,33,34,36)/t29?,30-/m0/s1
• InChIKey: SWYMIHAGMIJHNR-ZSXSBBPPSA-N
• XLogP: 4.41
• TPSA: 73.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.67
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one?

The IUPAC name of (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one (CID 143397233) is (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one.

What is the SMILES notation for (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one?

The canonical SMILES for (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one is CC(C)[C@@H]1Nc2nc(nc3ccccc23)CN2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2NC1=O.

What is the InChIKey of (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one?

The InChIKey is SWYMIHAGMIJHNR-ZSXSBBPPSA-N. The full InChI is InChI=1S/C32H34N6O/c1-20(2)30-32(39)35-29-19-37(17-21-11-12-25-23(15-21)16-22-7-3-4-8-24(22)25)13-14-38(29)18-28-33-27-10-6-5-9-26(27)31(34-28)36-30/h3-12,15,20,29-30H,13-14,16-19H2,1-2H3,(H,35,39)(H,33,34,36)/t29?,30-/m0/s1.

What are the key properties of (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one?

(11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one has a molecular weight of 518.67 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (11S)-6-(9H-fluoren-2-ylmethyl)-11-propan-2-yl-3,6,9,12,20,21-hexazatetracyclo[11.7.1.03,8.014,19]henicosa-1(20),13(21),14,16,18-pentaen-10-one is sourced from PubChem (CID 143397233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).