2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene

C33H32O2 — CID 70027114

IUPAC2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cccc3C(C)Cc3ccccc3)C2)cc1
InChIInChI=1S/C33H32O2/c1-24(22-25-8-5-4-6-9-25)31-11-7-10-26-23-33(21-20-32(26)31,27-12-16-29(34-2)17-13-27)28-14-18-30(35-3)19-15-28/h4-21,24H,22-23H2,1-3H3
InChIKeyBNXFWNKVMMBBAA-UHFFFAOYSA-N
MW460.62 g/mol
LogP7.61
Rot. Bonds7

About 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene

2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene (PubChem CID 70027114) has the molecular formula C33H32O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene.

Molecular Properties

Compound Name2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene
PubChem CID70027114
Molecular FormulaC33H32O2
Molecular Weight460.62 g/mol
Exact Mass460.24
IUPAC Name2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene
SMILESCOc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cccc3C(C)Cc3ccccc3)C2)cc1
InChIInChI=1S/C33H32O2/c1-24(22-25-8-5-4-6-9-25)31-11-7-10-26-23-33(21-20-32(26)31,27-12-16-29(34-2)17-13-27)28-14-18-30(35-3)19-15-28/h4-21,24H,22-23H2,1-3H3
InChIKeyBNXFWNKVMMBBAA-UHFFFAOYSA-N
XLogP7.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene?
The IUPAC name of 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene (CID 70027114) is 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene.
What is the SMILES notation for 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene?
The canonical SMILES for 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(cccc3C(C)Cc3ccccc3)C2)cc1.
What is the InChIKey of 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene?
The InChIKey is BNXFWNKVMMBBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32O2/c1-24(22-25-8-5-4-6-9-25)31-11-7-10-26-23-33(21-20-32(26)31,27-12-16-29(34-2)17-13-27)28-14-18-30(35-3)19-15-28/h4-21,24H,22-23H2,1-3H3.
What are the key properties of 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene?
2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene has a molecular weight of 460.62 g/mol, XLogP of 7.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-methoxyphenyl)-5-(1-phenylpropan-2-yl)-1H-naphthalene is sourced from PubChem (CID 70027114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).