7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol

C37H43NO4 — CID 170010702

IUPAC7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol
SMILESCCOCCC1(CCOCC)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1cc(OC)c(N3CCCCC3)cc21
InChIInChI=1S/C37H43NO4/c1-4-41-20-16-37(17-21-42-5-2)31-22-27(26-12-8-6-9-13-26)14-15-28(31)36-30-23-33(38-18-10-7-11-19-38)35(40-3)24-29(30)34(39)25-32(36)37/h6,8-9,12-15,22-25,39H,4-5,7,10-11,16-21H2,1-3H3
InChIKeyKHTFOSPMDVUZMG-UHFFFAOYSA-N
MW565.75 g/mol
LogP8.33
Rot. Bonds11

About 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol

7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol (PubChem CID 170010702) has the molecular formula C37H43NO4 and a molecular weight of 565.75 g/mol. Its IUPAC name is 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol.

Molecular Properties

Compound Name7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol
PubChem CID170010702
Molecular FormulaC37H43NO4
Molecular Weight565.75 g/mol
Exact Mass565.32
IUPAC Name7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol
SMILESCCOCCC1(CCOCC)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1cc(OC)c(N3CCCCC3)cc21
InChIInChI=1S/C37H43NO4/c1-4-41-20-16-37(17-21-42-5-2)31-22-27(26-12-8-6-9-13-26)14-15-28(31)36-30-23-33(38-18-10-7-11-19-38)35(40-3)24-29(30)34(39)25-32(36)37/h6,8-9,12-15,22-25,39H,4-5,7,10-11,16-21H2,1-3H3
InChIKeyKHTFOSPMDVUZMG-UHFFFAOYSA-N
XLogP8.33
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.75
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol with MolForge

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Related Compounds

2,3-dimethoxy-1',1',5',5'-tetramethyl-9-phenylspiro[benzo[c]fluorene-7,3'-cyclohexane]-5-ol
CID 161242797
7-butyl-3-methoxy-2-morpholin-4-ylbenzo[c]fluorene-5,7-diol
CID 68841390
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-9-(4-tert-butylphenyl)-3-methoxy-7,7-dimethylbenzo[c]fluoren-5-ol
CID 67609151
7,7-diethyl-2,3-dimethoxybenzo[c]fluoren-5-ol
CID 170317987
2,3,4-trimethoxy-7,7-dimethyl-9-phenylbenzo[c]fluoren-5-ol
CID 67972181
2-[4-[10-methoxy-5-(4-methoxyphenyl)-21,21-dimethyl-11-piperidin-1-yl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-5-yl]phenoxy]ethanol
CID 67173072
4-[10-methoxy-21,21-dimethyl-5-(4-morpholin-4-ylphenyl)-11-piperidin-1-yl-18-[2-(trifluoromethyl)phenyl]-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-5-yl]phenol
CID 122579386
2,3-dimethoxy-7-(trifluoromethyl)benzo[c]fluorene-5,7-diol
CID 67228250
2-phenyl-9,9-dipropylfluorene
CID 154114384
2-[[1-[10-methoxy-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-18-(4-phenylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaen-11-yl]piperidin-3-yl]methoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 89206484
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
4-(7,7-diethyl-5-methoxy-3-methylsulfanylbenzo[c]fluoren-2-yl)morpholine
CID 170344894

Frequently Asked Questions

What is the IUPAC name of 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol?
The IUPAC name of 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol (CID 170010702) is 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol.
What is the SMILES notation for 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol?
The canonical SMILES for 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol is CCOCCC1(CCOCC)c2cc(-c3ccccc3)ccc2-c2c1cc(O)c1cc(OC)c(N3CCCCC3)cc21.
What is the InChIKey of 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol?
The InChIKey is KHTFOSPMDVUZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43NO4/c1-4-41-20-16-37(17-21-42-5-2)31-22-27(26-12-8-6-9-13-26)14-15-28(31)36-30-23-33(38-18-10-7-11-19-38)35(40-3)24-29(30)34(39)25-32(36)37/h6,8-9,12-15,22-25,39H,4-5,7,10-11,16-21H2,1-3H3.
What are the key properties of 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol?
7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol has a molecular weight of 565.75 g/mol, XLogP of 8.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(2-ethoxyethyl)-3-methoxy-9-phenyl-2-piperidin-1-ylbenzo[c]fluoren-5-ol is sourced from PubChem (CID 170010702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).