1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid

C88H96Cl3N3O8 — CID 161048699

About 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid

1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid (PubChem CID 161048699) has the molecular formula C88H96Cl3N3O8 and a molecular weight of 1430.11 g/mol. Its IUPAC name is 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid.

Molecular Properties

• Compound Name: 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid
• PubChem CID: 161048699
• Molecular Formula: C88H96Cl3N3O8
• Molecular Weight: 1430.11 g/mol
• Exact Mass: 1427.63
• IUPAC Name: 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid
• SMILES: CCCCC(=O)O.CCCCC(=O)OC(c1ccccc1)(c1ccc(C)cc1)c1ccccc1Cl.CCN(C(C)C)C(C)C.Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2Cl)cc1.NC(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C25H25ClO2.C20H16Cl2.2C15H13NO2.C8H19N.C5H10O2/c1-3-4-14-24(27)28-25(20-10-6-5-7-11-20,21-17-15-19(2)16-18-21)22-12-8-9-13-23(22)26;1-15-11-13-17(14-12-15)20(22,16-7-3-2-4-8-16)18-9-5-6-10-19(18)21;2*16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-6-9(7(2)3)8(4)5;1-2-3-4-5(6)7/h5-13,15-18H,3-4,14H2,1-2H3;2-14H,1H3;2*1-8,14H,9H2,(H2,16,17);7-8H,6H2,1-5H3;2-4H2,1H3,(H,6,7)
• InChIKey: UBVNAWWDJOGUPD-UHFFFAOYSA-N
• XLogP: 22.03
• TPSA: 171.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1430.11
LogP ≤ 5	22.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid?

The IUPAC name of 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid (CID 161048699) is 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid.

What is the SMILES notation for 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid?

The canonical SMILES for 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid is CCCCC(=O)O.CCCCC(=O)OC(c1ccccc1)(c1ccc(C)cc1)c1ccccc1Cl.CCN(C(C)C)C(C)C.Cc1ccc(C(Cl)(c2ccccc2)c2ccccc2Cl)cc1.NC(=O)OCC1c2ccccc2-c2ccccc21.NC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid?

The InChIKey is UBVNAWWDJOGUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClO2.C20H16Cl2.2C15H13NO2.C8H19N.C5H10O2/c1-3-4-14-24(27)28-25(20-10-6-5-7-11-20,21-17-15-19(2)16-18-21)22-12-8-9-13-23(22)26;1-15-11-13-17(14-12-15)20(22,16-7-3-2-4-8-16)18-9-5-6-10-19(18)21;2*16-15(17)18-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14;1-6-9(7(2)3)8(4)5;1-2-3-4-5(6)7/h5-13,15-18H,3-4,14H2,1-2H3;2-14H,1H3;2*1-8,14H,9H2,(H2,16,17);7-8H,6H2,1-5H3;2-4H2,1H3,(H,6,7).

What are the key properties of 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid?

1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid has a molecular weight of 1430.11 g/mol, XLogP of 22.03, 20 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] pentanoate;N-ethyl-N-propan-2-ylpropan-2-amine;bis(9H-fluoren-9-ylmethyl carbamate);pentanoic acid is sourced from PubChem (CID 161048699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).