1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine

C35H30ClNO2 — CID 22624719

IUPAC1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)(c1ccc(N2CCCCC2)c2ccccc12)C=C3
InChIInChI=1S/C35H30ClNO2/c1-38-27-13-14-28-24(22-27)12-17-34-31(28)18-19-35(39-34,25-8-7-9-26(36)23-25)32-15-16-33(37-20-5-2-6-21-37)30-11-4-3-10-29(30)32/h3-4,7-19,22-23H,2,5-6,20-21H2,1H3
InChIKeyALAVMUBJUPFWOR-UHFFFAOYSA-N
MW532.08 g/mol
LogP8.99
Rot. Bonds4

About 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine

1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine (PubChem CID 22624719) has the molecular formula C35H30ClNO2 and a molecular weight of 532.08 g/mol. Its IUPAC name is 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine.

Molecular Properties

Compound Name1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine
PubChem CID22624719
Molecular FormulaC35H30ClNO2
Molecular Weight532.08 g/mol
Exact Mass531.20
IUPAC Name1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)(c1ccc(N2CCCCC2)c2ccccc12)C=C3
InChIInChI=1S/C35H30ClNO2/c1-38-27-13-14-28-24(22-27)12-17-34-31(28)18-19-35(39-34,25-8-7-9-26(36)23-25)32-15-16-33(37-20-5-2-6-21-37)30-11-4-3-10-29(30)32/h3-4,7-19,22-23H,2,5-6,20-21H2,1H3
InChIKeyALAVMUBJUPFWOR-UHFFFAOYSA-N
XLogP8.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.08
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine?
The IUPAC name of 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine (CID 22624719) is 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine.
What is the SMILES notation for 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine?
The canonical SMILES for 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine is COc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)(c1ccc(N2CCCCC2)c2ccccc12)C=C3.
What is the InChIKey of 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine?
The InChIKey is ALAVMUBJUPFWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClNO2/c1-38-27-13-14-28-24(22-27)12-17-34-31(28)18-19-35(39-34,25-8-7-9-26(36)23-25)32-15-16-33(37-20-5-2-6-21-37)30-11-4-3-10-29(30)32/h3-4,7-19,22-23H,2,5-6,20-21H2,1H3.
What are the key properties of 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine?
1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine has a molecular weight of 532.08 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-chlorophenyl)-8-methoxybenzo[f]chromen-3-yl]naphthalen-1-yl]piperidine is sourced from PubChem (CID 22624719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).