ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene

C43H55NO3 — CID 159154231

IUPACethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene
SMILESCC.CC.CC(C)C.CO.CO.Cn1c2ccccc2c2ccccc21.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O.C13H11N.C4H10.2C2H6.2CH4O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4(2)3;4*1-2/h1-14H;2-9H,1H3;4H,1-3H3;2*1-2H3;2*2H,1H3
InChIKeyKJRLPWVWCJQDLV-UHFFFAOYSA-N
MW633.92 g/mol
LogP12.05
Rot. Bonds2

About ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene

ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene (PubChem CID 159154231) has the molecular formula C43H55NO3 and a molecular weight of 633.92 g/mol. Its IUPAC name is ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene.

Molecular Properties

Compound Nameethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene
PubChem CID159154231
Molecular FormulaC43H55NO3
Molecular Weight633.92 g/mol
Exact Mass633.42
IUPAC Nameethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene
SMILESCC.CC.CC(C)C.CO.CO.Cn1c2ccccc2c2ccccc21.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1
InChIInChI=1S/C20H14O.C13H11N.C4H10.2C2H6.2CH4O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4(2)3;4*1-2/h1-14H;2-9H,1H3;4H,1-3H3;2*1-2H3;2*2H,1H3
InChIKeyKJRLPWVWCJQDLV-UHFFFAOYSA-N
XLogP12.05
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.92
LogP ≤ 512.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The IUPAC name of ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene (CID 159154231) is ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene.
What is the SMILES notation for ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The canonical SMILES for ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene is CC.CC.CC(C)C.CO.CO.Cn1c2ccccc2c2ccccc21.c1ccc2cc(Oc3ccc4ccccc4c3)ccc2c1.
What is the InChIKey of ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
The InChIKey is KJRLPWVWCJQDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O.C13H11N.C4H10.2C2H6.2CH4O/c1-3-7-17-13-19(11-9-15(17)5-1)21-20-12-10-16-6-2-4-8-18(16)14-20;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;1-4(2)3;4*1-2/h1-14H;2-9H,1H3;4H,1-3H3;2*1-2H3;2*2H,1H3.
What are the key properties of ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene?
ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene has a molecular weight of 633.92 g/mol, XLogP of 12.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;9-methylcarbazole;2-methylpropane;2-naphthalen-2-yloxynaphthalene is sourced from PubChem (CID 159154231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).