3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol

C118H115ClN6O9 — CID 54163908

About 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol

3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol (PubChem CID 54163908) has the molecular formula C118H115ClN6O9 and a molecular weight of 1796.70 g/mol. Its IUPAC name is 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol.

Molecular Properties

• Compound Name: 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol
• PubChem CID: 54163908
• Molecular Formula: C118H115ClN6O9
• Molecular Weight: 1796.70 g/mol
• Exact Mass: 1794.84
• IUPAC Name: 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol
• SMILES: ClCc1ccc(OCCN2CCCCC2)cc1.Oc1ccc2c(ccc3c4cc(O)ccc4n(Cc4ccc(OCCN5CCCCC5)cc4)c23)c1.c1ccc(COc2ccc3c(ccc4c5cc(OCc6ccccc6)ccc5[nH]c34)c2)cc1.c1ccc(COc2ccc3c(ccc4c5cc(OCc6ccccc6)ccc5n(Cc5ccc(OCCN6CCCCC6)cc5)c34)c2)cc1
• InChI: InChI=1S/C44H42N2O3.C30H30N2O3.C30H23NO2.C14H20ClNO/c1-4-10-34(11-5-1)31-48-38-19-22-40-36(28-38)16-21-41-42-29-39(49-32-35-12-6-2-7-13-35)20-23-43(42)46(44(40)41)30-33-14-17-37(18-15-33)47-27-26-45-24-8-3-9-25-45;33-23-7-12-26-22(18-23)6-11-27-28-19-24(34)8-13-29(28)32(30(26)27)20-21-4-9-25(10-5-21)35-17-16-31-14-2-1-3-15-31;1-3-7-21(8-4-1)19-32-24-12-15-26-23(17-24)11-14-27-28-18-25(13-16-29(28)31-30(26)27)33-20-22-9-5-2-6-10-22;15-12-13-4-6-14(7-5-13)17-11-10-16-8-2-1-3-9-16/h1-2,4-7,10-23,28-29H,3,8-9,24-27,30-32H2;4-13,18-19,33-34H,1-3,14-17,20H2;1-18,31H,19-20H2;4-7H,1-3,8-12H2
• InChIKey: OQIBWQUYNKYWIO-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 140.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.70
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol?

The IUPAC name of 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol (CID 54163908) is 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol.

What is the SMILES notation for 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol?

The canonical SMILES for 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol is ClCc1ccc(OCCN2CCCCC2)cc1.Oc1ccc2c(ccc3c4cc(O)ccc4n(Cc4ccc(OCCN5CCCCC5)cc4)c23)c1.c1ccc(COc2ccc3c(ccc4c5cc(OCc6ccccc6)ccc5[nH]c34)c2)cc1.c1ccc(COc2ccc3c(ccc4c5cc(OCc6ccccc6)ccc5n(Cc5ccc(OCCN6CCCCC6)cc5)c34)c2)cc1.

What is the InChIKey of 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol?

The InChIKey is OQIBWQUYNKYWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N2O3.C30H30N2O3.C30H23NO2.C14H20ClNO/c1-4-10-34(11-5-1)31-48-38-19-22-40-36(28-38)16-21-41-42-29-39(49-32-35-12-6-2-7-13-35)20-23-43(42)46(44(40)41)30-33-14-17-37(18-15-33)47-27-26-45-24-8-3-9-25-45;33-23-7-12-26-22(18-23)6-11-27-28-19-24(34)8-13-29(28)32(30(26)27)20-21-4-9-25(10-5-21)35-17-16-31-14-2-1-3-15-31;1-3-7-21(8-4-1)19-32-24-12-15-26-23(17-24)11-14-27-28-18-25(13-16-29(28)31-30(26)27)33-20-22-9-5-2-6-10-22;15-12-13-4-6-14(7-5-13)17-11-10-16-8-2-1-3-9-16/h1-2,4-7,10-23,28-29H,3,8-9,24-27,30-32H2;4-13,18-19,33-34H,1-3,14-17,20H2;1-18,31H,19-20H2;4-7H,1-3,8-12H2.

What are the key properties of 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol?

3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol has a molecular weight of 1796.70 g/mol, XLogP of 27.21, 29 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3,8-bis(phenylmethoxy)-11H-benzo[a]carbazole;3,8-bis(phenylmethoxy)-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole;1-[2-[4-(chloromethyl)phenoxy]ethyl]piperidine;11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzo[a]carbazole-3,8-diol is sourced from PubChem (CID 54163908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).