(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene

C46H42O6 — CID 139093931

IUPAC(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C46H42O6/c1-47-35-17-7-30(8-18-35)43-41-28-27-40(52-6)29-42(41)46(33-13-23-38(50-4)24-14-33,34-15-25-39(51-5)26-16-34)45(32-11-21-37(49-3)22-12-32)44(43)31-9-19-36(48-2)20-10-31/h7-29,45H,1-6H3/t45-/m0/s1
InChIKeyODKYJXZPUOXQMQ-GWHBCOKCSA-N
MW690.84 g/mol
LogP9.83
Rot. Bonds11

About (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene

(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene (PubChem CID 139093931) has the molecular formula C46H42O6 and a molecular weight of 690.84 g/mol. Its IUPAC name is (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene.

Molecular Properties

Compound Name(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene
PubChem CID139093931
Molecular FormulaC46H42O6
Molecular Weight690.84 g/mol
Exact Mass690.30
IUPAC Name(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3cc(OC)ccc32)cc1
InChIInChI=1S/C46H42O6/c1-47-35-17-7-30(8-18-35)43-41-28-27-40(52-6)29-42(41)46(33-13-23-38(50-4)24-14-33,34-15-25-39(51-5)26-16-34)45(32-11-21-37(49-3)22-12-32)44(43)31-9-19-36(48-2)20-10-31/h7-29,45H,1-6H3/t45-/m0/s1
InChIKeyODKYJXZPUOXQMQ-GWHBCOKCSA-N
XLogP9.83
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.84
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene?
The IUPAC name of (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene (CID 139093931) is (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene.
What is the SMILES notation for (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene?
The canonical SMILES for (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene is COc1ccc(C2=C(c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)C(c3ccc(OC)cc3)(c3ccc(OC)cc3)c3cc(OC)ccc32)cc1.
What is the InChIKey of (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene?
The InChIKey is ODKYJXZPUOXQMQ-GWHBCOKCSA-N. The full InChI is InChI=1S/C46H42O6/c1-47-35-17-7-30(8-18-35)43-41-28-27-40(52-6)29-42(41)46(33-13-23-38(50-4)24-14-33,34-15-25-39(51-5)26-16-34)45(32-11-21-37(49-3)22-12-32)44(43)31-9-19-36(48-2)20-10-31/h7-29,45H,1-6H3/t45-/m0/s1.
What are the key properties of (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene?
(2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene has a molecular weight of 690.84 g/mol, XLogP of 9.83, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-methoxy-1,1,2,3,4-pentakis(4-methoxyphenyl)-2H-naphthalene is sourced from PubChem (CID 139093931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).