CID 162232952

C234H306N6O2S4 — CID 162232952

About CID 162232952

CID 162232952 (PubChem CID 162232952) has the molecular formula C234H306N6O2S4 and a molecular weight of 3363.33 g/mol.

Molecular Properties

• Compound Name: CID 162232952
• PubChem CID: 162232952
• Molecular Formula: C234H306N6O2S4
• Molecular Weight: 3363.33 g/mol
• Exact Mass: 3360.29
• IUPAC Name: —
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4c(cc13)sc1ccccc14)C21c2ccccc2-c2cc3c(cc21)sc1ccccc13.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4oc5ccccc5c4cc13)C21c2ccccc2-c2cc3oc4ccccc4c3cc21.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4sc5ccccc5c4cc13)C21c2ccccc2-c2cc3sc4ccccc4c3cc21
• InChI: InChI=1S/C52H28O2.2C52H28S2.6C5H13N.24C2H6/c2*1-7-19-39-29(13-1)35-27-47-37(31-15-5-11-23-45(31)53-47)25-43(35)51(39)41-21-9-3-17-33(41)50-49(51)34-18-4-10-22-42(34)52(50)40-20-8-2-14-30(40)36-28-48-38(26-44(36)52)32-16-6-12-24-46(32)54-48;1-7-19-39-29(13-1)35-25-37-31-15-5-11-23-45(31)53-47(37)27-43(35)51(39)41-21-9-3-17-33(41)50-49(51)34-18-4-10-22-42(34)52(50)40-20-8-2-14-30(40)36-26-38-32-16-6-12-24-46(32)54-48(38)28-44(36)52;6*1-4-6(3)5-2;24*1-2/h3*1-28H;6*4-5H2,1-3H3;24*1-2H3
• InChIKey: ZVRHCQDXAKLVLN-UHFFFAOYSA-N
• XLogP: 71.41
• TPSA: 45.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 246
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3363.33
LogP ≤ 5	71.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 162232952?

The IUPAC name of CID 162232952 (CID 162232952) is not available.

What is the SMILES notation for CID 162232952?

The canonical SMILES for CID 162232952 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCN(C)CC.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4c(cc13)sc1ccccc14)C21c2ccccc2-c2cc3c(cc21)sc1ccccc13.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4oc5ccccc5c4cc13)C21c2ccccc2-c2cc3oc4ccccc4c3cc21.c1ccc2c(c1)C1=C(c3ccccc3C13c1ccccc1-c1cc4sc5ccccc5c4cc13)C21c2ccccc2-c2cc3sc4ccccc4c3cc21.

What is the InChIKey of CID 162232952?

The InChIKey is ZVRHCQDXAKLVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H28O2.2C52H28S2.6C5H13N.24C2H6/c2*1-7-19-39-29(13-1)35-27-47-37(31-15-5-11-23-45(31)53-47)25-43(35)51(39)41-21-9-3-17-33(41)50-49(51)34-18-4-10-22-42(34)52(50)40-20-8-2-14-30(40)36-28-48-38(26-44(36)52)32-16-6-12-24-46(32)54-48;1-7-19-39-29(13-1)35-25-37-31-15-5-11-23-45(31)53-47(37)27-43(35)51(39)41-21-9-3-17-33(41)50-49(51)34-18-4-10-22-42(34)52(50)40-20-8-2-14-30(40)36-26-38-32-16-6-12-24-46(32)54-48(38)28-44(36)52;6*1-4-6(3)5-2;24*1-2/h3*1-28H;6*4-5H2,1-3H3;24*1-2H3.

What are the key properties of CID 162232952?

CID 162232952 has a molecular weight of 3363.33 g/mol, XLogP of 71.41, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for CID 162232952 is sourced from PubChem (CID 162232952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).