CID 159608068

C88H98N8O10Si3 — CID 159608068

IUPAC—

SMILESCN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCN3C(=O)C=CC3=O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C2=O

InChIInChI=1S/C36H38N4O5Si.C30H32N2O4Si.C22H28N2OSi/c1-38(2)24-9-12-27-30(21-24)46(18-6-5-7-19-46)31-22-25(39(3)4)10-13-28(31)36(27)29-20-23(8-11-26(29)35(44)45-36)34(43)37-16-17-40-32(41)14-15-33(40)42;1-31(2)20-9-12-23-26(17-20)37(14-6-5-7-15-37)27-18-21(32(3)4)10-13-24(27)30(23)25-16-19(28(33)34)8-11-22(25)29(35)36-30;1-23(2)16-8-10-18-20(14-16)26(12-6-5-7-13-26)21-15-17(24(3)4)9-11-19(21)22(18)25/h8-15,20-22H,5-7,16-19H2,1-4H3,(H,37,43);8-13,16-18H,5-7,14-15H2,1-4H3,(H,33,34);8-11,14-15H,5-7,12-13H2,1-4H3

InChIKeyMMIFZZTZYJMPLY-UHFFFAOYSA-N

MW1512.06 g/mol

LogP10.15

Rot. Bonds11

About CID 159608068

CID 159608068 (PubChem CID 159608068) has the molecular formula C88H98N8O10Si3 and a molecular weight of 1512.06 g/mol.

Molecular Properties

Compound Name	CID 159608068
PubChem CID	159608068
Molecular Formula	C88H98N8O10Si3
Molecular Weight	1512.06 g/mol
Exact Mass	1510.67
IUPAC Name	—
SMILES	CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCN3C(=O)C=CC3=O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C2=O
InChI	InChI=1S/C36H38N4O5Si.C30H32N2O4Si.C22H28N2OSi/c1-38(2)24-9-12-27-30(21-24)46(18-6-5-7-19-46)31-22-25(39(3)4)10-13-28(31)36(27)29-20-23(8-11-26(29)35(44)45-36)34(43)37-16-17-40-32(41)14-15-33(40)42;1-31(2)20-9-12-23-26(17-20)37(14-6-5-7-15-37)27-18-21(32(3)4)10-13-24(27)30(23)25-16-19(28(33)34)8-11-22(25)29(35)36-30;1-23(2)16-8-10-18-20(14-16)26(12-6-5-7-13-26)21-15-17(24(3)4)9-11-19(21)22(18)25/h8-15,20-22H,5-7,16-19H2,1-4H3,(H,37,43);8-13,16-18H,5-7,14-15H2,1-4H3,(H,33,34);8-11,14-15H,5-7,12-13H2,1-4H3
InChIKey	MMIFZZTZYJMPLY-UHFFFAOYSA-N
XLogP	10.15
TPSA	192.89 Å²
H-Bond Donors	2
H-Bond Acceptors	15
Rotatable Bonds	11
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1512.06
LogP ≤ 5	10.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of CID 159608068?

The IUPAC name of CID 159608068 (CID 159608068) is not available.

What is the SMILES notation for CID 159608068?

The canonical SMILES for CID 159608068 is CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCN3C(=O)C=CC3=O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)O)cc21.CN(C)c1ccc2c(c1)[Si]1(CCCCC1)c1cc(N(C)C)ccc1C2=O.

What is the InChIKey of CID 159608068?

The InChIKey is MMIFZZTZYJMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38N4O5Si.C30H32N2O4Si.C22H28N2OSi/c1-38(2)24-9-12-27-30(21-24)46(18-6-5-7-19-46)31-22-25(39(3)4)10-13-28(31)36(27)29-20-23(8-11-26(29)35(44)45-36)34(43)37-16-17-40-32(41)14-15-33(40)42;1-31(2)20-9-12-23-26(17-20)37(14-6-5-7-15-37)27-18-21(32(3)4)10-13-24(27)30(23)25-16-19(28(33)34)8-11-22(25)29(35)36-30;1-23(2)16-8-10-18-20(14-16)26(12-6-5-7-13-26)21-15-17(24(3)4)9-11-19(21)22(18)25/h8-15,20-22H,5-7,16-19H2,1-4H3,(H,37,43);8-13,16-18H,5-7,14-15H2,1-4H3,(H,33,34);8-11,14-15H,5-7,12-13H2,1-4H3.

What are the key properties of CID 159608068?

CID 159608068 has a molecular weight of 1512.06 g/mol, XLogP of 10.15, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for CID 159608068 is sourced from PubChem (CID 159608068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).