1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine

C35H30ClNO2 — CID 22624739

IUPAC1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)C=C3c1ccc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C35H30ClNO2/c1-38-26-13-14-27-23(21-26)12-17-33-35(27)31(22-34(39-33)24-8-7-9-25(36)20-24)29-15-16-32(37-18-5-2-6-19-37)30-11-4-3-10-28(29)30/h3-4,7-17,20-22,34H,2,5-6,18-19H2,1H3
InChIKeyBGIKBXWZCCXQOC-UHFFFAOYSA-N
MW532.08 g/mol
LogP9.21
Rot. Bonds4

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

1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine (PubChem CID 22624739) has the molecular formula C35H30ClNO2 and a molecular weight of 532.08 g/mol. Its IUPAC name is 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine.

Molecular Properties

Compound Name1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine
PubChem CID22624739
Molecular FormulaC35H30ClNO2
Molecular Weight532.08 g/mol
Exact Mass531.20
IUPAC Name1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine
SMILESCOc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)C=C3c1ccc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C35H30ClNO2/c1-38-26-13-14-27-23(21-26)12-17-33-35(27)31(22-34(39-33)24-8-7-9-25(36)20-24)29-15-16-32(37-18-5-2-6-19-37)30-11-4-3-10-28(29)30/h3-4,7-17,20-22,34H,2,5-6,18-19H2,1H3
InChIKeyBGIKBXWZCCXQOC-UHFFFAOYSA-N
XLogP9.21
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 ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

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CID 9887578
9-Chloro-5-(4-methoxy-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10598088
9-Chloro-5-(3-chloro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10622122
5-(3-Chloro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10643956
9-Chloro-2,2,4-trimethyl-5-phenyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10691647
9-Chloro-2,2,4-trimethyl-5-m-tolyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 11795355
(5Z)-5-[(3-chlorophenyl)methylidene]-2,2,4-trimethyl-1H-chromeno[3,4-f]quinoline
CID 10668663
5-(3,5-Dichloro-phenyl)-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10717098
5-(4-Chloro-phenyl)-9-methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
CID 10598087
1-(5-Chloro-2-methylphenyl)-4-[2-[4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)phenyl]ethyl]piperazine;hydrochloride
CID 145970193
2-(4-Chlorophenyl)-2,3-dihydro-1h-naphtho[1,2-e][1,3]oxazine
CID 240938
5'-Chloro-1',3',3'-trimethyl-spiro[benzo[f]chromene-3,2'-indoline]
CID 3007724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine?
The IUPAC name of 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine (CID 22624739) is 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine.
What is the SMILES notation for 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine?
The canonical SMILES for 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine is COc1ccc2c3c(ccc2c1)OC(c1cccc(Cl)c1)C=C3c1ccc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine?
The InChIKey is BGIKBXWZCCXQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30ClNO2/c1-38-26-13-14-27-23(21-26)12-17-33-35(27)31(22-34(39-33)24-8-7-9-25(36)20-24)29-15-16-32(37-18-5-2-6-19-37)30-11-4-3-10-28(29)30/h3-4,7-17,20-22,34H,2,5-6,18-19H2,1H3.
What are the key properties of 1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine?
1-[4-[3-(3-chlorophenyl)-8-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine has a molecular weight of 532.08 g/mol, XLogP of 9.21, 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-methoxy-3H-benzo[f]chromen-1-yl]naphthalen-1-yl]piperidine is sourced from PubChem (CID 22624739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).